3-(2,2-dimethyl-6-methylidenecyclohexyl)propan-1-ol

C12H22O — CID 549684

IUPAC3-(2,2-dimethyl-6-methylidenecyclohexyl)propan-1-ol
SMILESC=C1CCCC(C)(C)C1CCCO
InChIInChI=1S/C12H22O/c1-10-6-4-8-12(2,3)11(10)7-5-9-13/h11,13H,1,4-9H2,2-3H3
InChIKeyFKUIYDFLMWSYME-UHFFFAOYSA-N
MW182.31 g/mol
LogP3.14
Rot. Bonds3

About 3-(2,2-dimethyl-6-methylidenecyclohexyl)propan-1-ol

3-(2,2-dimethyl-6-methylidenecyclohexyl)propan-1-ol (PubChem CID 549684) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is 3-(2,2-dimethyl-6-methylidenecyclohexyl)propan-1-ol.

Molecular Properties

Compound Name3-(2,2-dimethyl-6-methylidenecyclohexyl)propan-1-ol
PubChem CID549684
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name3-(2,2-dimethyl-6-methylidenecyclohexyl)propan-1-ol
SMILESC=C1CCCC(C)(C)C1CCCO
InChIInChI=1S/C12H22O/c1-10-6-4-8-12(2,3)11(10)7-5-9-13/h11,13H,1,4-9H2,2-3H3
InChIKeyFKUIYDFLMWSYME-UHFFFAOYSA-N
XLogP3.14
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3,7-Dimethyl-7-octen-1-ol
CID 543323
Rhodinol
CID 81263
Grandisol
CID 169202
Albicanol
CID 171360
(-)-Drimenol
CID 3080551
Cyclohexanepropanol, alpha,2,2-trimethyl-6-methylene-
CID 114559
3-Cyclopentene-1-butanol, beta,2,2,3-tetramethyl-
CID 166220
(4-(Prop-1-en-2-yl)cyclohexyl)methanol
CID 519954
beta-Costol
CID 12304104
2-Cyclohexene-1-propanol, alpha,2,6,6-tetramethyl-
CID 166894
(2,5,5,8a-Tetramethyl-1,4,4a,5,6,7,8,8a-octahydronaphthalen-1-yl)methanol
CID 298071
(-)-Elema-1,3,11(13)-trien-12-ol
CID 11564800

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethyl-6-methylidenecyclohexyl)propan-1-ol?
The IUPAC name of 3-(2,2-dimethyl-6-methylidenecyclohexyl)propan-1-ol (CID 549684) is 3-(2,2-dimethyl-6-methylidenecyclohexyl)propan-1-ol.
What is the SMILES notation for 3-(2,2-dimethyl-6-methylidenecyclohexyl)propan-1-ol?
The canonical SMILES for 3-(2,2-dimethyl-6-methylidenecyclohexyl)propan-1-ol is C=C1CCCC(C)(C)C1CCCO.
What is the InChIKey of 3-(2,2-dimethyl-6-methylidenecyclohexyl)propan-1-ol?
The InChIKey is FKUIYDFLMWSYME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O/c1-10-6-4-8-12(2,3)11(10)7-5-9-13/h11,13H,1,4-9H2,2-3H3.
What are the key properties of 3-(2,2-dimethyl-6-methylidenecyclohexyl)propan-1-ol?
3-(2,2-dimethyl-6-methylidenecyclohexyl)propan-1-ol has a molecular weight of 182.31 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethyl-6-methylidenecyclohexyl)propan-1-ol is sourced from PubChem (CID 549684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).