3-(5-tert-butyl-2-methylidenecyclohexyl)propan-1-ol

C14H26O — CID 162758423

IUPAC3-(5-tert-butyl-2-methylidenecyclohexyl)propan-1-ol
SMILESC=C1CCC(C(C)(C)C)CC1CCCO
InChIInChI=1S/C14H26O/c1-11-7-8-13(14(2,3)4)10-12(11)6-5-9-15/h12-13,15H,1,5-10H2,2-4H3
InChIKeyVMEHUASDRYWQEM-UHFFFAOYSA-N
MW210.36 g/mol
LogP3.78
Rot. Bonds3

About 3-(5-tert-butyl-2-methylidenecyclohexyl)propan-1-ol

3-(5-tert-butyl-2-methylidenecyclohexyl)propan-1-ol (PubChem CID 162758423) has the molecular formula C14H26O and a molecular weight of 210.36 g/mol. Its IUPAC name is 3-(5-tert-butyl-2-methylidenecyclohexyl)propan-1-ol.

Molecular Properties

Compound Name3-(5-tert-butyl-2-methylidenecyclohexyl)propan-1-ol
PubChem CID162758423
Molecular FormulaC14H26O
Molecular Weight210.36 g/mol
Exact Mass210.20
IUPAC Name3-(5-tert-butyl-2-methylidenecyclohexyl)propan-1-ol
SMILESC=C1CCC(C(C)(C)C)CC1CCCO
InChIInChI=1S/C14H26O/c1-11-7-8-13(14(2,3)4)10-12(11)6-5-9-15/h12-13,15H,1,5-10H2,2-4H3
InChIKeyVMEHUASDRYWQEM-UHFFFAOYSA-N
XLogP3.78
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 53.78
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

4-(5-tert-butyl-2-methylidenecyclohexyl)butan-2-one
CID 162758420
cis-(1S,5R)-5-tert-butyl-2-methylidenecyclohexan-1-ol
CID 12027036
4-tert-butyl-2-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]cyclohexan-1-one
CID 62612745
cis-(2S,4R)-4-tert-butyl-2-(hydroxymethyl)cyclohexan-1-one
CID 98617812
[(1R,5R)-5-tert-butyl-2-methylidenecyclohexyl] acetate
CID 12027034
2-but-3-enyl-4-tert-butylcyclohexan-1-one
CID 13032700
2-(3-tert-butylcyclopentyl)ethanol
CID 23230209
2-[(1S,5R)-2-methylidene-5-(2-methyloxiran-2-yl)cyclohexyl]ethanol
CID 130991407
4-tert-butyl-2-(2-methylidenebutyl)cyclohexan-1-one
CID 66047404
2-(5-tert-butyl-2-oxocyclohexyl)ethyl acetate
CID 144805650
1,3-ditert-butylcyclopentane;ethane
CID 161179598
2-[2-[(2R)-6-(3-hydroxypropyl)-3-methylideneoxan-2-yl]ethoxy]propan-2-ol
CID 167263639

Frequently Asked Questions

What is the IUPAC name of 3-(5-tert-butyl-2-methylidenecyclohexyl)propan-1-ol?
The IUPAC name of 3-(5-tert-butyl-2-methylidenecyclohexyl)propan-1-ol (CID 162758423) is 3-(5-tert-butyl-2-methylidenecyclohexyl)propan-1-ol.
What is the SMILES notation for 3-(5-tert-butyl-2-methylidenecyclohexyl)propan-1-ol?
The canonical SMILES for 3-(5-tert-butyl-2-methylidenecyclohexyl)propan-1-ol is C=C1CCC(C(C)(C)C)CC1CCCO.
What is the InChIKey of 3-(5-tert-butyl-2-methylidenecyclohexyl)propan-1-ol?
The InChIKey is VMEHUASDRYWQEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O/c1-11-7-8-13(14(2,3)4)10-12(11)6-5-9-15/h12-13,15H,1,5-10H2,2-4H3.
What are the key properties of 3-(5-tert-butyl-2-methylidenecyclohexyl)propan-1-ol?
3-(5-tert-butyl-2-methylidenecyclohexyl)propan-1-ol has a molecular weight of 210.36 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-tert-butyl-2-methylidenecyclohexyl)propan-1-ol is sourced from PubChem (CID 162758423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).