1-(1-methoxy-4-methylcyclohexyl)pent-4-en-1-ol

C13H24O2 — CID 116754607

IUPAC1-(1-methoxy-4-methylcyclohexyl)pent-4-en-1-ol
SMILESC=CCCC(O)C1(OC)CCC(C)CC1
InChIInChI=1S/C13H24O2/c1-4-5-6-12(14)13(15-3)9-7-11(2)8-10-13/h4,11-12,14H,1,5-10H2,2-3H3
InChIKeyDSIZCHFTUUVZHK-UHFFFAOYSA-N
MW212.33 g/mol
LogP2.91
Rot. Bonds5

About 1-(1-methoxy-4-methylcyclohexyl)pent-4-en-1-ol

1-(1-methoxy-4-methylcyclohexyl)pent-4-en-1-ol (PubChem CID 116754607) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is 1-(1-methoxy-4-methylcyclohexyl)pent-4-en-1-ol.

Molecular Properties

Compound Name1-(1-methoxy-4-methylcyclohexyl)pent-4-en-1-ol
PubChem CID116754607
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name1-(1-methoxy-4-methylcyclohexyl)pent-4-en-1-ol
SMILESC=CCCC(O)C1(OC)CCC(C)CC1
InChIInChI=1S/C13H24O2/c1-4-5-6-12(14)13(15-3)9-7-11(2)8-10-13/h4,11-12,14H,1,5-10H2,2-3H3
InChIKeyDSIZCHFTUUVZHK-UHFFFAOYSA-N
XLogP2.91
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(1-methoxy-4-methylcyclohexyl)but-3-en-1-ol
CID 116754516
1-(1-ethoxy-4-methylcyclohexyl)hex-5-en-1-ol
CID 116754863
1-(1-methoxy-4-methylcyclohexyl)hexan-1-ol
CID 116754485
1-(1-methoxy-4-methylcyclohexyl)-4,4-dimethylpentan-1-ol
CID 116754445
1-(1-methoxycyclopentyl)hex-5-en-1-ol
CID 104610355
1-(1-methoxycyclobutyl)hex-5-en-1-ol
CID 116710636
1-(1-methoxycycloheptyl)hex-5-en-1-ol
CID 116756031
2-cyclobutyl-1-(1-methoxy-4-methylcyclohexyl)ethanol
CID 116754535
N-ethyl-1-(1-methoxy-4-methylcyclohexyl)hex-5-en-1-amine
CID 116766659
2-ethoxy-1-(1-methoxy-4-methylcyclohexyl)ethanol
CID 116754612
N-ethyl-1-(1-methoxy-4-methylcyclohexyl)oct-7-en-1-amine
CID 107009746
1-(1-methoxy-4-methylcyclohexyl)-3-(1-methylpyrazol-4-yl)propan-1-ol
CID 103008613

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxy-4-methylcyclohexyl)pent-4-en-1-ol?
The IUPAC name of 1-(1-methoxy-4-methylcyclohexyl)pent-4-en-1-ol (CID 116754607) is 1-(1-methoxy-4-methylcyclohexyl)pent-4-en-1-ol.
What is the SMILES notation for 1-(1-methoxy-4-methylcyclohexyl)pent-4-en-1-ol?
The canonical SMILES for 1-(1-methoxy-4-methylcyclohexyl)pent-4-en-1-ol is C=CCCC(O)C1(OC)CCC(C)CC1.
What is the InChIKey of 1-(1-methoxy-4-methylcyclohexyl)pent-4-en-1-ol?
The InChIKey is DSIZCHFTUUVZHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2/c1-4-5-6-12(14)13(15-3)9-7-11(2)8-10-13/h4,11-12,14H,1,5-10H2,2-3H3.
What are the key properties of 1-(1-methoxy-4-methylcyclohexyl)pent-4-en-1-ol?
1-(1-methoxy-4-methylcyclohexyl)pent-4-en-1-ol has a molecular weight of 212.33 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxy-4-methylcyclohexyl)pent-4-en-1-ol is sourced from PubChem (CID 116754607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).