1-cyclohex-3-en-1-yl-4-methoxybutan-1-ol

C11H20O2 — CID 114852166

IUPAC1-cyclohex-3-en-1-yl-4-methoxybutan-1-ol
SMILESCOCCCC(O)C1CC=CCC1
InChIInChI=1S/C11H20O2/c1-13-9-5-8-11(12)10-6-3-2-4-7-10/h2-3,10-12H,4-9H2,1H3
InChIKeyLXTYHUPHRUWGSA-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.13
Rot. Bonds5

About 1-cyclohex-3-en-1-yl-4-methoxybutan-1-ol

1-cyclohex-3-en-1-yl-4-methoxybutan-1-ol (PubChem CID 114852166) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 1-cyclohex-3-en-1-yl-4-methoxybutan-1-ol.

Molecular Properties

Compound Name1-cyclohex-3-en-1-yl-4-methoxybutan-1-ol
PubChem CID114852166
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name1-cyclohex-3-en-1-yl-4-methoxybutan-1-ol
SMILESCOCCCC(O)C1CC=CCC1
InChIInChI=1S/C11H20O2/c1-13-9-5-8-11(12)10-6-3-2-4-7-10/h2-3,10-12H,4-9H2,1H3
InChIKeyLXTYHUPHRUWGSA-UHFFFAOYSA-N
XLogP2.13
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohex-3-en-1-yl-4-methoxybutan-1-ol?
The IUPAC name of 1-cyclohex-3-en-1-yl-4-methoxybutan-1-ol (CID 114852166) is 1-cyclohex-3-en-1-yl-4-methoxybutan-1-ol.
What is the SMILES notation for 1-cyclohex-3-en-1-yl-4-methoxybutan-1-ol?
The canonical SMILES for 1-cyclohex-3-en-1-yl-4-methoxybutan-1-ol is COCCCC(O)C1CC=CCC1.
What is the InChIKey of 1-cyclohex-3-en-1-yl-4-methoxybutan-1-ol?
The InChIKey is LXTYHUPHRUWGSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-13-9-5-8-11(12)10-6-3-2-4-7-10/h2-3,10-12H,4-9H2,1H3.
What are the key properties of 1-cyclohex-3-en-1-yl-4-methoxybutan-1-ol?
1-cyclohex-3-en-1-yl-4-methoxybutan-1-ol has a molecular weight of 184.28 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohex-3-en-1-yl-4-methoxybutan-1-ol is sourced from PubChem (CID 114852166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).