(3Z,5Z)-1-(4-butylcyclohexyl)octa-3,5-dien-1-one

C18H30O — CID 168962516

IUPAC(3Z,5Z)-1-(4-butylcyclohexyl)octa-3,5-dien-1-one
SMILESCC/C=C\C=C/CC(=O)C1CCC(CCCC)CC1
InChIInChI=1S/C18H30O/c1-3-5-7-8-9-11-18(19)17-14-12-16(13-15-17)10-6-4-2/h5,7-9,16-17H,3-4,6,10-15H2,1-2H3/b7-5-,9-8-
InChIKeyDDXQXCXICXZHPX-PJHABFGRSA-N
MW262.44 g/mol
LogP5.46
Rot. Bonds8

About (3Z,5Z)-1-(4-butylcyclohexyl)octa-3,5-dien-1-one

(3Z,5Z)-1-(4-butylcyclohexyl)octa-3,5-dien-1-one (PubChem CID 168962516) has the molecular formula C18H30O and a molecular weight of 262.44 g/mol. Its IUPAC name is (3Z,5Z)-1-(4-butylcyclohexyl)octa-3,5-dien-1-one.

Molecular Properties

Compound Name(3Z,5Z)-1-(4-butylcyclohexyl)octa-3,5-dien-1-one
PubChem CID168962516
Molecular FormulaC18H30O
Molecular Weight262.44 g/mol
Exact Mass262.23
IUPAC Name(3Z,5Z)-1-(4-butylcyclohexyl)octa-3,5-dien-1-one
SMILESCC/C=C\C=C/CC(=O)C1CCC(CCCC)CC1
InChIInChI=1S/C18H30O/c1-3-5-7-8-9-11-18(19)17-14-12-16(13-15-17)10-6-4-2/h5,7-9,16-17H,3-4,6,10-15H2,1-2H3/b7-5-,9-8-
InChIKeyDDXQXCXICXZHPX-PJHABFGRSA-N
XLogP5.46
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.44
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(4-butylcyclohexyl)-2-cyclopentylethanone
CID 114969263
1-(4-butylcyclohexyl)-2-methoxyethanone
CID 115783287
4-pentylcyclohexane-1-carboxylate
CID 6993970
sodium 4-pentylcyclohexane-1-carboxylate
CID 156501187
1-(4-propylcyclohexyl)decan-1-one
CID 65424252
propan-2-yl 4-butylcyclohexane-1-carboxylate
CID 60643355
1-(4-pentylcyclohexyl)ethanone
CID 13278013
4-butylcyclohexane-1-carbohydrazide
CID 2063620
2-[4-(4-butylcyclohexyl)cyclohexyl]prop-2-enoic acid
CID 66615371
3-chloro-1-[4-(4-propylcyclohexyl)cyclohexyl]propan-1-one
CID 175787154
prop-2-enyl 4-butylcyclohexane-1-carboxylate
CID 139948297
2-(4-bromothiophen-2-yl)-1-(4-butylcyclohexyl)ethanone
CID 114969376

Frequently Asked Questions

What is the IUPAC name of (3Z,5Z)-1-(4-butylcyclohexyl)octa-3,5-dien-1-one?
The IUPAC name of (3Z,5Z)-1-(4-butylcyclohexyl)octa-3,5-dien-1-one (CID 168962516) is (3Z,5Z)-1-(4-butylcyclohexyl)octa-3,5-dien-1-one.
What is the SMILES notation for (3Z,5Z)-1-(4-butylcyclohexyl)octa-3,5-dien-1-one?
The canonical SMILES for (3Z,5Z)-1-(4-butylcyclohexyl)octa-3,5-dien-1-one is CC/C=C\C=C/CC(=O)C1CCC(CCCC)CC1.
What is the InChIKey of (3Z,5Z)-1-(4-butylcyclohexyl)octa-3,5-dien-1-one?
The InChIKey is DDXQXCXICXZHPX-PJHABFGRSA-N. The full InChI is InChI=1S/C18H30O/c1-3-5-7-8-9-11-18(19)17-14-12-16(13-15-17)10-6-4-2/h5,7-9,16-17H,3-4,6,10-15H2,1-2H3/b7-5-,9-8-.
What are the key properties of (3Z,5Z)-1-(4-butylcyclohexyl)octa-3,5-dien-1-one?
(3Z,5Z)-1-(4-butylcyclohexyl)octa-3,5-dien-1-one has a molecular weight of 262.44 g/mol, XLogP of 5.46, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-1-(4-butylcyclohexyl)octa-3,5-dien-1-one is sourced from PubChem (CID 168962516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).