2-Isopropylcyclopentan-1-ol

CAT: 0127-OR1072766-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1072766-01Size:100 mg

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

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CAS Number

56470-87-2

MDL Number

MFCD16818415

Purity

95%

Smiles

OC1C(C(C)C)CCC1

Chemical Information

2-Isopropylcyclopentan-1-ol

CAS Number	56470-87-2
PubChem CID	15593851
IUPAC Name	2-propan-2-ylcyclopentan-1-ol
Molecular Formula	C8H16O
Molecular Weight	128.21
XLogP	2
Topological Polar Surface Area	20.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Heavy Atom Count	9
Formal Charge	0
Complexity	88

SMILES

CC(C)C1CCCC1O

InChI

InChI=1S/C8H16O/c1-6(2)7-4-3-5-8(7)9/h6-9H,3-5H2,1-2H3

InChIKey

UNGWJJDVLCVVGB-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 56470-87-2

CID: 15593851

Formula: C8H16O

MW: 128.21

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	128.21
XLogP3	2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	128.120115130
Monoisotopic Mass	128.120115130
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	88.6
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes