cyclohexane;(8Z,10Z)-8-ethenyl-3-ethyldodeca-8,10-dien-2-one

C22H38O — CID 142864253

IUPACcyclohexane;(8Z,10Z)-8-ethenyl-3-ethyldodeca-8,10-dien-2-one
SMILESC1CCCCC1.C=C/C(=C\C=C/C)CCCCC(CC)C(C)=O
InChIInChI=1S/C16H26O.C6H12/c1-5-8-11-15(6-2)12-9-10-13-16(7-3)14(4)17;1-2-4-6-5-3-1/h5-6,8,11,16H,2,7,9-10,12-13H2,1,3-4H3;1-6H2/b8-5-,15-11+;
InChIKeyHBWHHPHCCBSXQW-PNROHPQISA-N
MW318.55 g/mol
LogP7.19
Rot. Bonds9

About cyclohexane;(8Z,10Z)-8-ethenyl-3-ethyldodeca-8,10-dien-2-one

cyclohexane;(8Z,10Z)-8-ethenyl-3-ethyldodeca-8,10-dien-2-one (PubChem CID 142864253) has the molecular formula C22H38O and a molecular weight of 318.55 g/mol. Its IUPAC name is cyclohexane;(8Z,10Z)-8-ethenyl-3-ethyldodeca-8,10-dien-2-one.

Molecular Properties

Compound Namecyclohexane;(8Z,10Z)-8-ethenyl-3-ethyldodeca-8,10-dien-2-one
PubChem CID142864253
Molecular FormulaC22H38O
Molecular Weight318.55 g/mol
Exact Mass318.29
IUPAC Namecyclohexane;(8Z,10Z)-8-ethenyl-3-ethyldodeca-8,10-dien-2-one
SMILESC1CCCCC1.C=C/C(=C\C=C/C)CCCCC(CC)C(C)=O
InChIInChI=1S/C16H26O.C6H12/c1-5-8-11-15(6-2)12-9-10-13-16(7-3)14(4)17;1-2-4-6-5-3-1/h5-6,8,11,16H,2,7,9-10,12-13H2,1,3-4H3;1-6H2/b8-5-,15-11+;
InChIKeyHBWHHPHCCBSXQW-PNROHPQISA-N
XLogP7.19
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.55
LogP ≤ 57.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2Z,8Z,10Z)-8-ethenyl-3-methyldodeca-2,8,10-trienenitrile
CID 142155560
acetaldehyde;ethane;(2Z,4Z,9Z,10Z)-5-ethenyl-9-ethylidene-8-propyldodeca-2,4,10-triene
CID 144983518
(3Z,5Z)-3-ethenylhepta-3,5-dien-1-amine
CID 88579233
2-aminoacetic acid;ethane;(2Z,4Z)-5-ethenylocta-2,4-diene;methanol
CID 144536023
3-ethylhex-5-en-2-one
CID 58995117
N-[(5S)-5-ethyl-6-oxoheptyl]formamide
CID 159837872
2-ethylnon-7-enoic acid
CID 143730555
6-ethoxy-3-ethylhexan-2-one
CID 65180817
(1E,3Z)-4-ethenyl-1-fluoronona-1,3-diene
CID 158832591
ethane;1-[(2E,4Z)-2-ethenylhexa-2,4-dienyl]piperidine
CID 166529175
2-ethylhexadecanedioic acid
CID 88785674
cyclohexane;2-ethylhexanoic acid;nickel
CID 174366727

Frequently Asked Questions

What is the IUPAC name of cyclohexane;(8Z,10Z)-8-ethenyl-3-ethyldodeca-8,10-dien-2-one?
The IUPAC name of cyclohexane;(8Z,10Z)-8-ethenyl-3-ethyldodeca-8,10-dien-2-one (CID 142864253) is cyclohexane;(8Z,10Z)-8-ethenyl-3-ethyldodeca-8,10-dien-2-one.
What is the SMILES notation for cyclohexane;(8Z,10Z)-8-ethenyl-3-ethyldodeca-8,10-dien-2-one?
The canonical SMILES for cyclohexane;(8Z,10Z)-8-ethenyl-3-ethyldodeca-8,10-dien-2-one is C1CCCCC1.C=C/C(=C\C=C/C)CCCCC(CC)C(C)=O.
What is the InChIKey of cyclohexane;(8Z,10Z)-8-ethenyl-3-ethyldodeca-8,10-dien-2-one?
The InChIKey is HBWHHPHCCBSXQW-PNROHPQISA-N. The full InChI is InChI=1S/C16H26O.C6H12/c1-5-8-11-15(6-2)12-9-10-13-16(7-3)14(4)17;1-2-4-6-5-3-1/h5-6,8,11,16H,2,7,9-10,12-13H2,1,3-4H3;1-6H2/b8-5-,15-11+;.
What are the key properties of cyclohexane;(8Z,10Z)-8-ethenyl-3-ethyldodeca-8,10-dien-2-one?
cyclohexane;(8Z,10Z)-8-ethenyl-3-ethyldodeca-8,10-dien-2-one has a molecular weight of 318.55 g/mol, XLogP of 7.19, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexane;(8Z,10Z)-8-ethenyl-3-ethyldodeca-8,10-dien-2-one is sourced from PubChem (CID 142864253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).