(1Z,3Z,5Z,7Z,11Z,13Z,15Z)-8-(4-methylcyclohexyl)cycloheptadeca-1,3,5,7,9,11,13,15-octaene

C24H30 — CID 163936414

IUPAC(1Z,3Z,5Z,7Z,11Z,13Z,15Z)-8-(4-methylcyclohexyl)cycloheptadeca-1,3,5,7,9,11,13,15-octaene
SMILESCC1CCC(/C2=C/C=C\C=C/C=C\C/C=C\C=C/C=C\C=C2)CC1
InChIInChI=1S/C24H30/c1-22-18-20-24(21-19-22)23-16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-17-23/h2,4-17,22,24H,3,18-21H2,1H3/b4-2-,7-5-,8-6-,11-9-,12-10-,15-13-,16-14?,23-17+
InChIKeyRNFBTEPIVXKEJY-PJAOLATQSA-N
MW318.50 g/mol
LogP7.04
Rot. Bonds1

About (1Z,3Z,5Z,7Z,11Z,13Z,15Z)-8-(4-methylcyclohexyl)cycloheptadeca-1,3,5,7,9,11,13,15-octaene

(1Z,3Z,5Z,7Z,11Z,13Z,15Z)-8-(4-methylcyclohexyl)cycloheptadeca-1,3,5,7,9,11,13,15-octaene (PubChem CID 163936414) has the molecular formula C24H30 and a molecular weight of 318.50 g/mol. Its IUPAC name is (1Z,3Z,5Z,7Z,11Z,13Z,15Z)-8-(4-methylcyclohexyl)cycloheptadeca-1,3,5,7,9,11,13,15-octaene.

Molecular Properties

Compound Name(1Z,3Z,5Z,7Z,11Z,13Z,15Z)-8-(4-methylcyclohexyl)cycloheptadeca-1,3,5,7,9,11,13,15-octaene
PubChem CID163936414
Molecular FormulaC24H30
Molecular Weight318.50 g/mol
Exact Mass318.23
IUPAC Name(1Z,3Z,5Z,7Z,11Z,13Z,15Z)-8-(4-methylcyclohexyl)cycloheptadeca-1,3,5,7,9,11,13,15-octaene
SMILESCC1CCC(/C2=C/C=C\C=C/C=C\C/C=C\C=C/C=C\C=C2)CC1
InChIInChI=1S/C24H30/c1-22-18-20-24(21-19-22)23-16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-17-23/h2,4-17,22,24H,3,18-21H2,1H3/b4-2-,7-5-,8-6-,11-9-,12-10-,15-13-,16-14?,23-17+
InChIKeyRNFBTEPIVXKEJY-PJAOLATQSA-N
XLogP7.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.50
LogP ≤ 57.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (1Z,3Z,5Z,7Z,11Z,13Z,15Z)-8-(4-methylcyclohexyl)cycloheptadeca-1,3,5,7,9,11,13,15-octaene?
The IUPAC name of (1Z,3Z,5Z,7Z,11Z,13Z,15Z)-8-(4-methylcyclohexyl)cycloheptadeca-1,3,5,7,9,11,13,15-octaene (CID 163936414) is (1Z,3Z,5Z,7Z,11Z,13Z,15Z)-8-(4-methylcyclohexyl)cycloheptadeca-1,3,5,7,9,11,13,15-octaene.
What is the SMILES notation for (1Z,3Z,5Z,7Z,11Z,13Z,15Z)-8-(4-methylcyclohexyl)cycloheptadeca-1,3,5,7,9,11,13,15-octaene?
The canonical SMILES for (1Z,3Z,5Z,7Z,11Z,13Z,15Z)-8-(4-methylcyclohexyl)cycloheptadeca-1,3,5,7,9,11,13,15-octaene is CC1CCC(/C2=C/C=C\C=C/C=C\C/C=C\C=C/C=C\C=C2)CC1.
What is the InChIKey of (1Z,3Z,5Z,7Z,11Z,13Z,15Z)-8-(4-methylcyclohexyl)cycloheptadeca-1,3,5,7,9,11,13,15-octaene?
The InChIKey is RNFBTEPIVXKEJY-PJAOLATQSA-N. The full InChI is InChI=1S/C24H30/c1-22-18-20-24(21-19-22)23-16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-17-23/h2,4-17,22,24H,3,18-21H2,1H3/b4-2-,7-5-,8-6-,11-9-,12-10-,15-13-,16-14?,23-17+.
What are the key properties of (1Z,3Z,5Z,7Z,11Z,13Z,15Z)-8-(4-methylcyclohexyl)cycloheptadeca-1,3,5,7,9,11,13,15-octaene?
(1Z,3Z,5Z,7Z,11Z,13Z,15Z)-8-(4-methylcyclohexyl)cycloheptadeca-1,3,5,7,9,11,13,15-octaene has a molecular weight of 318.50 g/mol, XLogP of 7.04, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3Z,5Z,7Z,11Z,13Z,15Z)-8-(4-methylcyclohexyl)cycloheptadeca-1,3,5,7,9,11,13,15-octaene is sourced from PubChem (CID 163936414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).