1,2-Cyclohexanediol,4- (1,1-dimethylethyl) -

CAT: 0127-OR1044533-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1044533-01Size:100 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

67027-80-9

Purity

95%

Smiles

OC1C(O)CC(C(C)(C)C)CC1

Chemical Information

4-Tert-butylcyclohexane-1,2-diol

CAS Number	67027-80-9
PubChem CID	11513830
IUPAC Name	4-tert-butylcyclohexane-1,2-diol
Molecular Formula	C10H20O2
Molecular Weight	172.26
XLogP	1.8
Topological Polar Surface Area	40.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	12
Formal Charge	0
Complexity	148

SMILES

CC(C)(C)C1CCC(C(C1)O)O

InChI

InChI=1S/C10H20O2/c1-10(2,3)7-4-5-8(11)9(12)6-7/h7-9,11-12H,4-6H2,1-3H3

InChIKey

YQUNEXSJGIVACX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 67027-80-9

CID: 11513830

Formula: C10H20O2

MW: 172.26

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	172.26
XLogP3	1.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	172.146329876
Monoisotopic Mass	172.146329876
Topological Polar Surface Area	40.5 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	148
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	3
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
OR73303-01	1,2-Cyclohexanediol
OR932554-01	Trans-1,4-Cyclohexanediol
OR51977-01	Cis-1,2-Cyclohexanediol
OR961242-01	2- (1,1-Dimethylethyl) -4-pyridinamine
OR1076329-01	2- (1,1-Dimethylethyl) -4-methylbenzenamine
OR1086341-01	1,1-Dimethylethyl 2,4-dibromobenzoate
OR1085227	4- (1,1-Dimethylethyl) -α-[4- (1,1-dimethylethyl) phenyl]benzenemethanol
OR1098169-01	4- (1,1-Dimethylethyl) -1,2-dimethoxybenzene
OR1094096-01	1,1-Dimethylethyl 4,4-dimethyl-2-pentynoate
PC1010676-01	1,1-Dimethylethyl 2-fluoro-4-methylbenzoate

Catalog	Name
sc-237749	1,4-Cyclohexanediol
TN9355-01	1,2-Cyclohexanediol
TRC-D398710-10MG	1,4-Dimethyl-1,4-cyclohexanediol
163110	Cis-1,4-Cyclohexanediol
RG-E201209-01	Cis,1,4-Cyclohexanediol
sc-487009	Trans-1,4-Cyclohexanediol
TRC-C984500-25G	trans-1,2-Cyclohexanediol
RG-E201210-01	Cis-1,2-Cyclohexanediol
TRC-D398715-750MG	cis-1,4-Dimethyl-1,4-cyclohexanediol
TRC-D986215-500MG	4,5-Dibromo-1,2-cyclohexanediol