1-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-4-methylcyclohexane

C14H22 — CID 143379615

IUPAC1-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-4-methylcyclohexane
SMILESC=C/C=C\C=C(/C)C1CCC(C)CC1
InChIInChI=1S/C14H22/c1-4-5-6-7-13(3)14-10-8-12(2)9-11-14/h4-7,12,14H,1,8-11H2,2-3H3/b6-5-,13-7+
InChIKeyMAVCWRIVVAPPLE-RKOYKYSNSA-N
MW190.33 g/mol
LogP4.50
Rot. Bonds3

About 1-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-4-methylcyclohexane

1-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-4-methylcyclohexane (PubChem CID 143379615) has the molecular formula C14H22 and a molecular weight of 190.33 g/mol. Its IUPAC name is 1-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-4-methylcyclohexane.

Molecular Properties

Compound Name1-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-4-methylcyclohexane
PubChem CID143379615
Molecular FormulaC14H22
Molecular Weight190.33 g/mol
Exact Mass190.17
IUPAC Name1-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-4-methylcyclohexane
SMILESC=C/C=C\C=C(/C)C1CCC(C)CC1
InChIInChI=1S/C14H22/c1-4-5-6-7-13(3)14-10-8-12(2)9-11-14/h4-7,12,14H,1,8-11H2,2-3H3/b6-5-,13-7+
InChIKeyMAVCWRIVVAPPLE-RKOYKYSNSA-N
XLogP4.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.33
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-4-methylcyclohexane?
The IUPAC name of 1-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-4-methylcyclohexane (CID 143379615) is 1-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-4-methylcyclohexane.
What is the SMILES notation for 1-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-4-methylcyclohexane?
The canonical SMILES for 1-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-4-methylcyclohexane is C=C/C=C\C=C(/C)C1CCC(C)CC1.
What is the InChIKey of 1-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-4-methylcyclohexane?
The InChIKey is MAVCWRIVVAPPLE-RKOYKYSNSA-N. The full InChI is InChI=1S/C14H22/c1-4-5-6-7-13(3)14-10-8-12(2)9-11-14/h4-7,12,14H,1,8-11H2,2-3H3/b6-5-,13-7+.
What are the key properties of 1-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-4-methylcyclohexane?
1-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-4-methylcyclohexane has a molecular weight of 190.33 g/mol, XLogP of 4.50, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-4-methylcyclohexane is sourced from PubChem (CID 143379615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).