1-[(E)-but-1-enyl]-4-methoxycyclohexane

C11H20O — CID 149274595

IUPAC1-[(E)-but-1-enyl]-4-methoxycyclohexane
SMILESCC/C=C/C1CCC(OC)CC1
InChIInChI=1S/C11H20O/c1-3-4-5-10-6-8-11(12-2)9-7-10/h4-5,10-11H,3,6-9H2,1-2H3/b5-4+
InChIKeyNMETVLCGQXKKRG-SNAWJCMRSA-N
MW168.28 g/mol
LogP3.16
Rot. Bonds3

About 1-[(E)-but-1-enyl]-4-methoxycyclohexane

1-[(E)-but-1-enyl]-4-methoxycyclohexane (PubChem CID 149274595) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is 1-[(E)-but-1-enyl]-4-methoxycyclohexane.

Molecular Properties

Compound Name1-[(E)-but-1-enyl]-4-methoxycyclohexane
PubChem CID149274595
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name1-[(E)-but-1-enyl]-4-methoxycyclohexane
SMILESCC/C=C/C1CCC(OC)CC1
InChIInChI=1S/C11H20O/c1-3-4-5-10-6-8-11(12-2)9-7-10/h4-5,10-11H,3,6-9H2,1-2H3/b5-4+
InChIKeyNMETVLCGQXKKRG-SNAWJCMRSA-N
XLogP3.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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)-but-1-enyl]-4-methoxycyclohexane?
The IUPAC name of 1-[(E)-but-1-enyl]-4-methoxycyclohexane (CID 149274595) is 1-[(E)-but-1-enyl]-4-methoxycyclohexane.
What is the SMILES notation for 1-[(E)-but-1-enyl]-4-methoxycyclohexane?
The canonical SMILES for 1-[(E)-but-1-enyl]-4-methoxycyclohexane is CC/C=C/C1CCC(OC)CC1.
What is the InChIKey of 1-[(E)-but-1-enyl]-4-methoxycyclohexane?
The InChIKey is NMETVLCGQXKKRG-SNAWJCMRSA-N. The full InChI is InChI=1S/C11H20O/c1-3-4-5-10-6-8-11(12-2)9-7-10/h4-5,10-11H,3,6-9H2,1-2H3/b5-4+.
What are the key properties of 1-[(E)-but-1-enyl]-4-methoxycyclohexane?
1-[(E)-but-1-enyl]-4-methoxycyclohexane has a molecular weight of 168.28 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-but-1-enyl]-4-methoxycyclohexane is sourced from PubChem (CID 149274595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).