1-[(Z)-4,4-dimethoxy-2-methylbut-1-enyl]-4-methylcyclohexan-1-ol

C14H26O3 — CID 134922163

IUPAC1-[(Z)-4,4-dimethoxy-2-methylbut-1-enyl]-4-methylcyclohexan-1-ol
SMILESCOC(C/C(C)=C\C1(O)CCC(C)CC1)OC
InChIInChI=1S/C14H26O3/c1-11-5-7-14(15,8-6-11)10-12(2)9-13(16-3)17-4/h10-11,13,15H,5-9H2,1-4H3/b12-10-
InChIKeyWCNKSLZBUQBVRW-BENRWUELSA-N
MW242.36 g/mol
LogP2.88
Rot. Bonds5

About 1-[(Z)-4,4-dimethoxy-2-methylbut-1-enyl]-4-methylcyclohexan-1-ol

1-[(Z)-4,4-dimethoxy-2-methylbut-1-enyl]-4-methylcyclohexan-1-ol (PubChem CID 134922163) has the molecular formula C14H26O3 and a molecular weight of 242.36 g/mol. Its IUPAC name is 1-[(Z)-4,4-dimethoxy-2-methylbut-1-enyl]-4-methylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[(Z)-4,4-dimethoxy-2-methylbut-1-enyl]-4-methylcyclohexan-1-ol
PubChem CID134922163
Molecular FormulaC14H26O3
Molecular Weight242.36 g/mol
Exact Mass242.19
IUPAC Name1-[(Z)-4,4-dimethoxy-2-methylbut-1-enyl]-4-methylcyclohexan-1-ol
SMILESCOC(C/C(C)=C\C1(O)CCC(C)CC1)OC
InChIInChI=1S/C14H26O3/c1-11-5-7-14(15,8-6-11)10-12(2)9-13(16-3)17-4/h10-11,13,15H,5-9H2,1-4H3/b12-10-
InChIKeyWCNKSLZBUQBVRW-BENRWUELSA-N
XLogP2.88
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-4,4-dimethoxy-2-methylbut-1-enyl]-4-methylcyclohexan-1-ol?
The IUPAC name of 1-[(Z)-4,4-dimethoxy-2-methylbut-1-enyl]-4-methylcyclohexan-1-ol (CID 134922163) is 1-[(Z)-4,4-dimethoxy-2-methylbut-1-enyl]-4-methylcyclohexan-1-ol.
What is the SMILES notation for 1-[(Z)-4,4-dimethoxy-2-methylbut-1-enyl]-4-methylcyclohexan-1-ol?
The canonical SMILES for 1-[(Z)-4,4-dimethoxy-2-methylbut-1-enyl]-4-methylcyclohexan-1-ol is COC(C/C(C)=C\C1(O)CCC(C)CC1)OC.
What is the InChIKey of 1-[(Z)-4,4-dimethoxy-2-methylbut-1-enyl]-4-methylcyclohexan-1-ol?
The InChIKey is WCNKSLZBUQBVRW-BENRWUELSA-N. The full InChI is InChI=1S/C14H26O3/c1-11-5-7-14(15,8-6-11)10-12(2)9-13(16-3)17-4/h10-11,13,15H,5-9H2,1-4H3/b12-10-.
What are the key properties of 1-[(Z)-4,4-dimethoxy-2-methylbut-1-enyl]-4-methylcyclohexan-1-ol?
1-[(Z)-4,4-dimethoxy-2-methylbut-1-enyl]-4-methylcyclohexan-1-ol has a molecular weight of 242.36 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-4,4-dimethoxy-2-methylbut-1-enyl]-4-methylcyclohexan-1-ol is sourced from PubChem (CID 134922163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).