1-cyclohexyl-4-[(5Z,7E,9Z)-7,8-dimethyl-3-methylideneundeca-5,7,9-trienyl]cyclohexane

C26H42 — CID 173482142

IUPAC1-cyclohexyl-4-[(5Z,7E,9Z)-7,8-dimethyl-3-methylideneundeca-5,7,9-trienyl]cyclohexane
SMILESC=C(C/C=C\C(C)=C(C)\C=C/C)CCC1CCC(C2CCCCC2)CC1
InChIInChI=1S/C26H42/c1-5-10-22(3)23(4)12-9-11-21(2)15-16-24-17-19-26(20-18-24)25-13-7-6-8-14-25/h5,9-10,12,24-26H,2,6-8,11,13-20H2,1,3-4H3/b10-5-,12-9-,23-22+
InChIKeyVUZUTQRBRKKQGM-SAYQNRHFSA-N
MW354.62 g/mol
LogP8.57
Rot. Bonds8

About 1-cyclohexyl-4-[(5Z,7E,9Z)-7,8-dimethyl-3-methylideneundeca-5,7,9-trienyl]cyclohexane

1-cyclohexyl-4-[(5Z,7E,9Z)-7,8-dimethyl-3-methylideneundeca-5,7,9-trienyl]cyclohexane (PubChem CID 173482142) has the molecular formula C26H42 and a molecular weight of 354.62 g/mol. Its IUPAC name is 1-cyclohexyl-4-[(5Z,7E,9Z)-7,8-dimethyl-3-methylideneundeca-5,7,9-trienyl]cyclohexane.

Molecular Properties

Compound Name1-cyclohexyl-4-[(5Z,7E,9Z)-7,8-dimethyl-3-methylideneundeca-5,7,9-trienyl]cyclohexane
PubChem CID173482142
Molecular FormulaC26H42
Molecular Weight354.62 g/mol
Exact Mass354.33
IUPAC Name1-cyclohexyl-4-[(5Z,7E,9Z)-7,8-dimethyl-3-methylideneundeca-5,7,9-trienyl]cyclohexane
SMILESC=C(C/C=C\C(C)=C(C)\C=C/C)CCC1CCC(C2CCCCC2)CC1
InChIInChI=1S/C26H42/c1-5-10-22(3)23(4)12-9-11-21(2)15-16-24-17-19-26(20-18-24)25-13-7-6-8-14-25/h5,9-10,12,24-26H,2,6-8,11,13-20H2,1,3-4H3/b10-5-,12-9-,23-22+
InChIKeyVUZUTQRBRKKQGM-SAYQNRHFSA-N
XLogP8.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.62
LogP ≤ 58.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-cyclohexyl-4-[(5Z,7E,9Z)-7,8-dimethyl-3-methylideneundeca-5,7,9-trienyl]cyclohexane with MolForge

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Related Compounds

1-(4-ethenylcyclohexyl)-4-[(E)-pent-3-enyl]cycloheptane
CID 142082200
(2Z,4E,6Z,9Z)-4,5-dimethylundeca-2,4,6,9-tetraene
CID 142044240
methane;1-methyl-4-[4-[(E)-pent-3-enyl]cyclohexyl]cyclohexane
CID 145124798
(3E)-2-methylhexa-1,3-diene;[(3Z)-penta-1,3-dien-2-yl]cyclohexane
CID 143467578
1-butyl-4-(4-cyclopentylcyclohexyl)cyclohexane
CID 146793992
3-(2-cycloheptylethyl)-2,3,4,4a,5,6,7,8,9,10,11,11a-dodecahydro-1H-benzo[9]annulene
CID 90780974
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-3-cyclopropylpropan-1-one
CID 114978305
3-(4-propylcyclohexyl)oxane
CID 150771088
1-pent-3-enyl-4-(4-prop-1-enylcyclohexyl)cyclohexane
CID 54021593
1-cyclohexyl-4-nonylcyclohexane
CID 56627592
5-chlorohex-5-enylcyclohexane
CID 174971012
(4E)-2-methylhexa-1,4-diene
CID 5367524

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4-[(5Z,7E,9Z)-7,8-dimethyl-3-methylideneundeca-5,7,9-trienyl]cyclohexane?
The IUPAC name of 1-cyclohexyl-4-[(5Z,7E,9Z)-7,8-dimethyl-3-methylideneundeca-5,7,9-trienyl]cyclohexane (CID 173482142) is 1-cyclohexyl-4-[(5Z,7E,9Z)-7,8-dimethyl-3-methylideneundeca-5,7,9-trienyl]cyclohexane.
What is the SMILES notation for 1-cyclohexyl-4-[(5Z,7E,9Z)-7,8-dimethyl-3-methylideneundeca-5,7,9-trienyl]cyclohexane?
The canonical SMILES for 1-cyclohexyl-4-[(5Z,7E,9Z)-7,8-dimethyl-3-methylideneundeca-5,7,9-trienyl]cyclohexane is C=C(C/C=C\C(C)=C(C)\C=C/C)CCC1CCC(C2CCCCC2)CC1.
What is the InChIKey of 1-cyclohexyl-4-[(5Z,7E,9Z)-7,8-dimethyl-3-methylideneundeca-5,7,9-trienyl]cyclohexane?
The InChIKey is VUZUTQRBRKKQGM-SAYQNRHFSA-N. The full InChI is InChI=1S/C26H42/c1-5-10-22(3)23(4)12-9-11-21(2)15-16-24-17-19-26(20-18-24)25-13-7-6-8-14-25/h5,9-10,12,24-26H,2,6-8,11,13-20H2,1,3-4H3/b10-5-,12-9-,23-22+.
What are the key properties of 1-cyclohexyl-4-[(5Z,7E,9Z)-7,8-dimethyl-3-methylideneundeca-5,7,9-trienyl]cyclohexane?
1-cyclohexyl-4-[(5Z,7E,9Z)-7,8-dimethyl-3-methylideneundeca-5,7,9-trienyl]cyclohexane has a molecular weight of 354.62 g/mol, XLogP of 8.57, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-[(5Z,7E,9Z)-7,8-dimethyl-3-methylideneundeca-5,7,9-trienyl]cyclohexane is sourced from PubChem (CID 173482142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).