4-methyl-3-[2-[1-(6-methylcyclohex-2-en-1-ylidene)pentan-2-yloxy]pentylidene]cyclohexene

C24H38O — CID 56616540

IUPAC4-methyl-3-[2-[1-(6-methylcyclohex-2-en-1-ylidene)pentan-2-yloxy]pentylidene]cyclohexene
SMILESCCCC(C=C1C=CCCC1C)OC(C=C1C=CCCC1C)CCC
InChIInChI=1S/C24H38O/c1-5-11-23(17-21-15-9-7-13-19(21)3)25-24(12-6-2)18-22-16-10-8-14-20(22)4/h9-10,15-20,23-24H,5-8,11-14H2,1-4H3
InChIKeyTXAJLSLYWKECDL-UHFFFAOYSA-N
MW342.57 g/mol
LogP7.17
Rot. Bonds8

About 4-methyl-3-[2-[1-(6-methylcyclohex-2-en-1-ylidene)pentan-2-yloxy]pentylidene]cyclohexene

4-methyl-3-[2-[1-(6-methylcyclohex-2-en-1-ylidene)pentan-2-yloxy]pentylidene]cyclohexene (PubChem CID 56616540) has the molecular formula C24H38O and a molecular weight of 342.57 g/mol. Its IUPAC name is 4-methyl-3-[2-[1-(6-methylcyclohex-2-en-1-ylidene)pentan-2-yloxy]pentylidene]cyclohexene.

Molecular Properties

Compound Name4-methyl-3-[2-[1-(6-methylcyclohex-2-en-1-ylidene)pentan-2-yloxy]pentylidene]cyclohexene
PubChem CID56616540
Molecular FormulaC24H38O
Molecular Weight342.57 g/mol
Exact Mass342.29
IUPAC Name4-methyl-3-[2-[1-(6-methylcyclohex-2-en-1-ylidene)pentan-2-yloxy]pentylidene]cyclohexene
SMILESCCCC(C=C1C=CCCC1C)OC(C=C1C=CCCC1C)CCC
InChIInChI=1S/C24H38O/c1-5-11-23(17-21-15-9-7-13-19(21)3)25-24(12-6-2)18-22-16-10-8-14-20(22)4/h9-10,15-20,23-24H,5-8,11-14H2,1-4H3
InChIKeyTXAJLSLYWKECDL-UHFFFAOYSA-N
XLogP7.17
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.57
LogP ≤ 57.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[2-[1-(6-methylcyclohex-2-en-1-ylidene)pentan-2-yloxy]pentylidene]cyclohexene?
The IUPAC name of 4-methyl-3-[2-[1-(6-methylcyclohex-2-en-1-ylidene)pentan-2-yloxy]pentylidene]cyclohexene (CID 56616540) is 4-methyl-3-[2-[1-(6-methylcyclohex-2-en-1-ylidene)pentan-2-yloxy]pentylidene]cyclohexene.
What is the SMILES notation for 4-methyl-3-[2-[1-(6-methylcyclohex-2-en-1-ylidene)pentan-2-yloxy]pentylidene]cyclohexene?
The canonical SMILES for 4-methyl-3-[2-[1-(6-methylcyclohex-2-en-1-ylidene)pentan-2-yloxy]pentylidene]cyclohexene is CCCC(C=C1C=CCCC1C)OC(C=C1C=CCCC1C)CCC.
What is the InChIKey of 4-methyl-3-[2-[1-(6-methylcyclohex-2-en-1-ylidene)pentan-2-yloxy]pentylidene]cyclohexene?
The InChIKey is TXAJLSLYWKECDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38O/c1-5-11-23(17-21-15-9-7-13-19(21)3)25-24(12-6-2)18-22-16-10-8-14-20(22)4/h9-10,15-20,23-24H,5-8,11-14H2,1-4H3.
What are the key properties of 4-methyl-3-[2-[1-(6-methylcyclohex-2-en-1-ylidene)pentan-2-yloxy]pentylidene]cyclohexene?
4-methyl-3-[2-[1-(6-methylcyclohex-2-en-1-ylidene)pentan-2-yloxy]pentylidene]cyclohexene has a molecular weight of 342.57 g/mol, XLogP of 7.17, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[2-[1-(6-methylcyclohex-2-en-1-ylidene)pentan-2-yloxy]pentylidene]cyclohexene is sourced from PubChem (CID 56616540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).