4-methyl-3-[5-[5-(6-methylcyclohex-2-en-1-ylidene)pentoxy]pentylidene]cyclohexene

C24H38O — CID 57315846

IUPAC4-methyl-3-[5-[5-(6-methylcyclohex-2-en-1-ylidene)pentoxy]pentylidene]cyclohexene
SMILESCC1CCC=CC1=CCCCCOCCCCC=C1C=CCCC1C
InChIInChI=1S/C24H38O/c1-21-13-7-9-17-23(21)15-5-3-11-19-25-20-12-4-6-16-24-18-10-8-14-22(24)2/h9-10,15-18,21-22H,3-8,11-14,19-20H2,1-2H3
InChIKeyNWPWJSONZOWHBE-UHFFFAOYSA-N
MW342.57 g/mol
LogP7.17
Rot. Bonds10

About 4-methyl-3-[5-[5-(6-methylcyclohex-2-en-1-ylidene)pentoxy]pentylidene]cyclohexene

4-methyl-3-[5-[5-(6-methylcyclohex-2-en-1-ylidene)pentoxy]pentylidene]cyclohexene (PubChem CID 57315846) has the molecular formula C24H38O and a molecular weight of 342.57 g/mol. Its IUPAC name is 4-methyl-3-[5-[5-(6-methylcyclohex-2-en-1-ylidene)pentoxy]pentylidene]cyclohexene.

Molecular Properties

Compound Name4-methyl-3-[5-[5-(6-methylcyclohex-2-en-1-ylidene)pentoxy]pentylidene]cyclohexene
PubChem CID57315846
Molecular FormulaC24H38O
Molecular Weight342.57 g/mol
Exact Mass342.29
IUPAC Name4-methyl-3-[5-[5-(6-methylcyclohex-2-en-1-ylidene)pentoxy]pentylidene]cyclohexene
SMILESCC1CCC=CC1=CCCCCOCCCCC=C1C=CCCC1C
InChIInChI=1S/C24H38O/c1-21-13-7-9-17-23(21)15-5-3-11-19-25-20-12-4-6-16-24-18-10-8-14-22(24)2/h9-10,15-18,21-22H,3-8,11-14,19-20H2,1-2H3
InChIKeyNWPWJSONZOWHBE-UHFFFAOYSA-N
XLogP7.17
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

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

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[5-[5-(6-methylcyclohex-2-en-1-ylidene)pentoxy]pentylidene]cyclohexene?
The IUPAC name of 4-methyl-3-[5-[5-(6-methylcyclohex-2-en-1-ylidene)pentoxy]pentylidene]cyclohexene (CID 57315846) is 4-methyl-3-[5-[5-(6-methylcyclohex-2-en-1-ylidene)pentoxy]pentylidene]cyclohexene.
What is the SMILES notation for 4-methyl-3-[5-[5-(6-methylcyclohex-2-en-1-ylidene)pentoxy]pentylidene]cyclohexene?
The canonical SMILES for 4-methyl-3-[5-[5-(6-methylcyclohex-2-en-1-ylidene)pentoxy]pentylidene]cyclohexene is CC1CCC=CC1=CCCCCOCCCCC=C1C=CCCC1C.
What is the InChIKey of 4-methyl-3-[5-[5-(6-methylcyclohex-2-en-1-ylidene)pentoxy]pentylidene]cyclohexene?
The InChIKey is NWPWJSONZOWHBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38O/c1-21-13-7-9-17-23(21)15-5-3-11-19-25-20-12-4-6-16-24-18-10-8-14-22(24)2/h9-10,15-18,21-22H,3-8,11-14,19-20H2,1-2H3.
What are the key properties of 4-methyl-3-[5-[5-(6-methylcyclohex-2-en-1-ylidene)pentoxy]pentylidene]cyclohexene?
4-methyl-3-[5-[5-(6-methylcyclohex-2-en-1-ylidene)pentoxy]pentylidene]cyclohexene has a molecular weight of 342.57 g/mol, XLogP of 7.17, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[5-[5-(6-methylcyclohex-2-en-1-ylidene)pentoxy]pentylidene]cyclohexene is sourced from PubChem (CID 57315846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).