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

C11H20 — CID 21137229

IUPAC1-[(E)-but-1-enyl]-4-methylcyclohexane
SMILESCC/C=C/C1CCC(C)CC1
InChIInChI=1S/C11H20/c1-3-4-5-11-8-6-10(2)7-9-11/h4-5,10-11H,3,6-9H2,1-2H3/b5-4+
InChIKeyLRSZMVYDBBEOOP-SNAWJCMRSA-N
MW152.28 g/mol
LogP3.78
Rot. Bonds2

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

1-[(E)-but-1-enyl]-4-methylcyclohexane (PubChem CID 21137229) has the molecular formula C11H20 and a molecular weight of 152.28 g/mol. Its IUPAC name is 1-[(E)-but-1-enyl]-4-methylcyclohexane.

Molecular Properties

Compound Name1-[(E)-but-1-enyl]-4-methylcyclohexane
PubChem CID21137229
Molecular FormulaC11H20
Molecular Weight152.28 g/mol
Exact Mass152.16
IUPAC Name1-[(E)-but-1-enyl]-4-methylcyclohexane
SMILESCC/C=C/C1CCC(C)CC1
InChIInChI=1S/C11H20/c1-3-4-5-11-8-6-10(2)7-9-11/h4-5,10-11H,3,6-9H2,1-2H3/b5-4+
InChIKeyLRSZMVYDBBEOOP-SNAWJCMRSA-N
XLogP3.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.28
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

4-[(E)-but-1-enyl]cyclohexan-1-ol
CID 19739340
[(E)-but-1-enyl]cyclodecane
CID 173272598
1-[(E)-but-1-enyl]-4-methoxycyclohexane
CID 149274595
4-[(E)-but-1-enyl]piperidine
CID 22015652
N-methyl-3-(4-methylcyclohexyl)-N-propylprop-2-en-1-amine
CID 174464341
1-but-1-enyl-4-[(Z)-4-(4-propylcyclohexyl)but-2-enyl]cyclohexane
CID 173282062
1-but-1-enyl-4-[4-(4-propylcyclohexyl)but-2-enyl]cyclohexane
CID 54563730
1-but-1-enyl-4-(4-prop-1-enylcyclohexyl)cyclohexane;methane
CID 158214961
1-methyl-4-[(E)-2-(4-methylcyclohexyl)ethenyl]cyclohexane;molecular hydrogen
CID 158561859
1-methyl-4-[(E)-2-(4-propylcyclohexyl)ethenyl]cyclohexane
CID 143239770
1-[4-[(1E,5E)-hepta-1,5-dienyl]cyclohexyl]-4-(4-methylcyclohexyl)cyclohexane
CID 59927398
[(E)-hex-1-enyl]cyclopropane
CID 5352188

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-but-1-enyl]-4-methylcyclohexane?
The IUPAC name of 1-[(E)-but-1-enyl]-4-methylcyclohexane (CID 21137229) is 1-[(E)-but-1-enyl]-4-methylcyclohexane.
What is the SMILES notation for 1-[(E)-but-1-enyl]-4-methylcyclohexane?
The canonical SMILES for 1-[(E)-but-1-enyl]-4-methylcyclohexane is CC/C=C/C1CCC(C)CC1.
What is the InChIKey of 1-[(E)-but-1-enyl]-4-methylcyclohexane?
The InChIKey is LRSZMVYDBBEOOP-SNAWJCMRSA-N. The full InChI is InChI=1S/C11H20/c1-3-4-5-11-8-6-10(2)7-9-11/h4-5,10-11H,3,6-9H2,1-2H3/b5-4+.
What are the key properties of 1-[(E)-but-1-enyl]-4-methylcyclohexane?
1-[(E)-but-1-enyl]-4-methylcyclohexane has a molecular weight of 152.28 g/mol, XLogP of 3.78, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-but-1-enyl]-4-methylcyclohexane is sourced from PubChem (CID 21137229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).