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(S)-gamma-Cyclogeraniol

CAT: 0572-TRC-C546350-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-C546350-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
166022-29-3
Hazard Statement
No Data Available
Smiles
CC1(C)CCCC(=C)[C@H]1CO
Molecular Formula
C10 H18 O
Molecular Weight
154.249
InChI
InChI=1S/C10H18O/c1-8-5-4-6-10(2,3)9(8)7-11/h9,11H,1,4-7H2,2-3H3/t9-/m1/s1
Additionnal Information
IUPAC name: [(1S)-2,2-dimethyl-6-methylidenecyclohexyl]methanol
Shipping Conditions
Room Temperature

Chemical Information

(S)-gamma-Cyclogeraniol
CAS Number166022-29-3
PubChem CID11275129
IUPAC Name[(1S)-2,2-dimethyl-6-methylidenecyclohexyl]methanol
Molecular FormulaC10H18O
Molecular Weight154.25
XLogP2.4
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count11
Formal Charge0
Complexity158
SMILES
CC1(CCCC(=C)[C@H]1CO)C
InChI
InChI=1S/C10H18O/c1-8-5-4-6-10(2,3)9(8)7-11/h9,11H,1,4-7H2,2-3H3/t9-/m1/s1
InChIKey
SGGRQCQZSVJULJ-SECBINFHSA-N
Chemical Structure
2D Structure
2D structure of (S)-gamma-Cyclogeraniol
CAS: 166022-29-3
CID: 11275129
Formula: C10H18O
MW: 154.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight154.25
XLogP32.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass154.135765193
Monoisotopic Mass154.135765193
Topological Polar Surface Area20.2 Ų
Heavy Atom Count11
Formal Charge0
Complexity158
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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