1-methyl-1-undec-1-en-3-ylcyclohexane

C18H34 — CID 11107782

IUPAC1-methyl-1-undec-1-en-3-ylcyclohexane
SMILESC=CC(CCCCCCCC)C1(C)CCCCC1
InChIInChI=1S/C18H34/c1-4-6-7-8-9-11-14-17(5-2)18(3)15-12-10-13-16-18/h5,17H,2,4,6-16H2,1,3H3
InChIKeyTVEZFKWWOCJELP-UHFFFAOYSA-N
MW250.47 g/mol
LogP6.51
Rot. Bonds9

About 1-methyl-1-undec-1-en-3-ylcyclohexane

1-methyl-1-undec-1-en-3-ylcyclohexane (PubChem CID 11107782) has the molecular formula C18H34 and a molecular weight of 250.47 g/mol. Its IUPAC name is 1-methyl-1-undec-1-en-3-ylcyclohexane.

Molecular Properties

Compound Name1-methyl-1-undec-1-en-3-ylcyclohexane
PubChem CID11107782
Molecular FormulaC18H34
Molecular Weight250.47 g/mol
Exact Mass250.27
IUPAC Name1-methyl-1-undec-1-en-3-ylcyclohexane
SMILESC=CC(CCCCCCCC)C1(C)CCCCC1
InChIInChI=1S/C18H34/c1-4-6-7-8-9-11-14-17(5-2)18(3)15-12-10-13-16-18/h5,17H,2,4,6-16H2,1,3H3
InChIKeyTVEZFKWWOCJELP-UHFFFAOYSA-N
XLogP6.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.47
LogP ≤ 56.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,1,6-trimethyl-6-oct-1-en-3-ylcyclododecane
CID 90993293
N-ethyl-1-(1-methylcyclohexyl)heptan-1-amine
CID 106829929
1-(1-methylcyclopentyl)heptan-1-ol
CID 115783527
1-(1-methylcyclopentyl)nonan-1-ol
CID 115784043
2-(1-hydroxycyclopentyl)decanal
CID 15853016
1-(1-methylcyclopentyl)-N-propyldecan-1-amine
CID 115831669
3-ethenylnon-1-ene
CID 123641938
10-ethenylnonadecane
CID 57244946
N-ethyl-1-(1-methylcyclohexyl)hex-5-en-1-amine
CID 106830165
ethane;9-ethenylheptadecane;octane
CID 168985515
1-butyl-1-ethenylcyclohexane
CID 158478687
1-(1-hydroxytridecyl)cyclohexan-1-ol
CID 103451628

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-undec-1-en-3-ylcyclohexane?
The IUPAC name of 1-methyl-1-undec-1-en-3-ylcyclohexane (CID 11107782) is 1-methyl-1-undec-1-en-3-ylcyclohexane.
What is the SMILES notation for 1-methyl-1-undec-1-en-3-ylcyclohexane?
The canonical SMILES for 1-methyl-1-undec-1-en-3-ylcyclohexane is C=CC(CCCCCCCC)C1(C)CCCCC1.
What is the InChIKey of 1-methyl-1-undec-1-en-3-ylcyclohexane?
The InChIKey is TVEZFKWWOCJELP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34/c1-4-6-7-8-9-11-14-17(5-2)18(3)15-12-10-13-16-18/h5,17H,2,4,6-16H2,1,3H3.
What are the key properties of 1-methyl-1-undec-1-en-3-ylcyclohexane?
1-methyl-1-undec-1-en-3-ylcyclohexane has a molecular weight of 250.47 g/mol, XLogP of 6.51, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-undec-1-en-3-ylcyclohexane is sourced from PubChem (CID 11107782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).