1-[(E)-3-hydroxy-3-methylpent-1-enyl]-2,2-dimethyl-6-methylidenecyclohexan-1-ol

C15H26O2 — CID 102002940

IUPAC1-[(E)-3-hydroxy-3-methylpent-1-enyl]-2,2-dimethyl-6-methylidenecyclohexan-1-ol
SMILESC=C1CCCC(C)(C)C1(O)/C=C/C(C)(O)CC
InChIInChI=1S/C15H26O2/c1-6-14(5,16)10-11-15(17)12(2)8-7-9-13(15,3)4/h10-11,16-17H,2,6-9H2,1,3-5H3/b11-10+
InChIKeyBZQJDVPPWBCSNI-ZHACJKMWSA-N
MW238.37 g/mol
LogP3.20
Rot. Bonds3

About 1-[(E)-3-hydroxy-3-methylpent-1-enyl]-2,2-dimethyl-6-methylidenecyclohexan-1-ol

1-[(E)-3-hydroxy-3-methylpent-1-enyl]-2,2-dimethyl-6-methylidenecyclohexan-1-ol (PubChem CID 102002940) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is 1-[(E)-3-hydroxy-3-methylpent-1-enyl]-2,2-dimethyl-6-methylidenecyclohexan-1-ol.

Molecular Properties

Compound Name1-[(E)-3-hydroxy-3-methylpent-1-enyl]-2,2-dimethyl-6-methylidenecyclohexan-1-ol
PubChem CID102002940
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name1-[(E)-3-hydroxy-3-methylpent-1-enyl]-2,2-dimethyl-6-methylidenecyclohexan-1-ol
SMILESC=C1CCCC(C)(C)C1(O)/C=C/C(C)(O)CC
InChIInChI=1S/C15H26O2/c1-6-14(5,16)10-11-15(17)12(2)8-7-9-13(15,3)4/h10-11,16-17H,2,6-9H2,1,3-5H3/b11-10+
InChIKeyBZQJDVPPWBCSNI-ZHACJKMWSA-N
XLogP3.20
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3-hydroxy-3-methylpent-1-enyl]-2,2-dimethyl-6-methylidenecyclohexan-1-ol?
The IUPAC name of 1-[(E)-3-hydroxy-3-methylpent-1-enyl]-2,2-dimethyl-6-methylidenecyclohexan-1-ol (CID 102002940) is 1-[(E)-3-hydroxy-3-methylpent-1-enyl]-2,2-dimethyl-6-methylidenecyclohexan-1-ol.
What is the SMILES notation for 1-[(E)-3-hydroxy-3-methylpent-1-enyl]-2,2-dimethyl-6-methylidenecyclohexan-1-ol?
The canonical SMILES for 1-[(E)-3-hydroxy-3-methylpent-1-enyl]-2,2-dimethyl-6-methylidenecyclohexan-1-ol is C=C1CCCC(C)(C)C1(O)/C=C/C(C)(O)CC.
What is the InChIKey of 1-[(E)-3-hydroxy-3-methylpent-1-enyl]-2,2-dimethyl-6-methylidenecyclohexan-1-ol?
The InChIKey is BZQJDVPPWBCSNI-ZHACJKMWSA-N. The full InChI is InChI=1S/C15H26O2/c1-6-14(5,16)10-11-15(17)12(2)8-7-9-13(15,3)4/h10-11,16-17H,2,6-9H2,1,3-5H3/b11-10+.
What are the key properties of 1-[(E)-3-hydroxy-3-methylpent-1-enyl]-2,2-dimethyl-6-methylidenecyclohexan-1-ol?
1-[(E)-3-hydroxy-3-methylpent-1-enyl]-2,2-dimethyl-6-methylidenecyclohexan-1-ol has a molecular weight of 238.37 g/mol, XLogP of 3.20, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3-hydroxy-3-methylpent-1-enyl]-2,2-dimethyl-6-methylidenecyclohexan-1-ol is sourced from PubChem (CID 102002940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).