1-(4-methylheptan-4-yl)-4-prop-1-en-2-ylcyclohexane

C17H32 — CID 123400712

IUPAC1-(4-methylheptan-4-yl)-4-prop-1-en-2-ylcyclohexane
SMILESC=C(C)C1CCC(C(C)(CCC)CCC)CC1
InChIInChI=1S/C17H32/c1-6-12-17(5,13-7-2)16-10-8-15(9-11-16)14(3)4/h15-16H,3,6-13H2,1-2,4-5H3
InChIKeyLJVAXKZGEUUETP-UHFFFAOYSA-N
MW236.44 g/mol
LogP5.98
Rot. Bonds6

About 1-(4-methylheptan-4-yl)-4-prop-1-en-2-ylcyclohexane

1-(4-methylheptan-4-yl)-4-prop-1-en-2-ylcyclohexane (PubChem CID 123400712) has the molecular formula C17H32 and a molecular weight of 236.44 g/mol. Its IUPAC name is 1-(4-methylheptan-4-yl)-4-prop-1-en-2-ylcyclohexane.

Molecular Properties

Compound Name1-(4-methylheptan-4-yl)-4-prop-1-en-2-ylcyclohexane
PubChem CID123400712
Molecular FormulaC17H32
Molecular Weight236.44 g/mol
Exact Mass236.25
IUPAC Name1-(4-methylheptan-4-yl)-4-prop-1-en-2-ylcyclohexane
SMILESC=C(C)C1CCC(C(C)(CCC)CCC)CC1
InChIInChI=1S/C17H32/c1-6-12-17(5,13-7-2)16-10-8-15(9-11-16)14(3)4/h15-16H,3,6-13H2,1-2,4-5H3
InChIKeyLJVAXKZGEUUETP-UHFFFAOYSA-N
XLogP5.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500236.44
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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-(4-methylheptan-4-yl)-4-prop-1-en-2-ylcyclohexane?
The IUPAC name of 1-(4-methylheptan-4-yl)-4-prop-1-en-2-ylcyclohexane (CID 123400712) is 1-(4-methylheptan-4-yl)-4-prop-1-en-2-ylcyclohexane.
What is the SMILES notation for 1-(4-methylheptan-4-yl)-4-prop-1-en-2-ylcyclohexane?
The canonical SMILES for 1-(4-methylheptan-4-yl)-4-prop-1-en-2-ylcyclohexane is C=C(C)C1CCC(C(C)(CCC)CCC)CC1.
What is the InChIKey of 1-(4-methylheptan-4-yl)-4-prop-1-en-2-ylcyclohexane?
The InChIKey is LJVAXKZGEUUETP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32/c1-6-12-17(5,13-7-2)16-10-8-15(9-11-16)14(3)4/h15-16H,3,6-13H2,1-2,4-5H3.
What are the key properties of 1-(4-methylheptan-4-yl)-4-prop-1-en-2-ylcyclohexane?
1-(4-methylheptan-4-yl)-4-prop-1-en-2-ylcyclohexane has a molecular weight of 236.44 g/mol, XLogP of 5.98, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylheptan-4-yl)-4-prop-1-en-2-ylcyclohexane is sourced from PubChem (CID 123400712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).