(6Z,8Z)-8,9,10-trimethyl-5-methylidene-4-(2-methylpropanoyl)dodeca-6,8-dienal

C20H32O2 — CID 172616805

IUPAC(6Z,8Z)-8,9,10-trimethyl-5-methylidene-4-(2-methylpropanoyl)dodeca-6,8-dienal
SMILESC=C(/C=C\C(C)=C(\C)C(C)CC)C(CCC=O)C(=O)C(C)C
InChIInChI=1S/C20H32O2/c1-8-15(4)18(7)16(5)11-12-17(6)19(10-9-13-21)20(22)14(2)3/h11-15,19H,6,8-10H2,1-5,7H3/b12-11-,18-16-
InChIKeyJCTCLRUBEGSLOX-BHLQPLEVSA-N
MW304.47 g/mol
LogP5.30
Rot. Bonds10

About (6Z,8Z)-8,9,10-trimethyl-5-methylidene-4-(2-methylpropanoyl)dodeca-6,8-dienal

(6Z,8Z)-8,9,10-trimethyl-5-methylidene-4-(2-methylpropanoyl)dodeca-6,8-dienal (PubChem CID 172616805) has the molecular formula C20H32O2 and a molecular weight of 304.47 g/mol. Its IUPAC name is (6Z,8Z)-8,9,10-trimethyl-5-methylidene-4-(2-methylpropanoyl)dodeca-6,8-dienal.

Molecular Properties

Compound Name(6Z,8Z)-8,9,10-trimethyl-5-methylidene-4-(2-methylpropanoyl)dodeca-6,8-dienal
PubChem CID172616805
Molecular FormulaC20H32O2
Molecular Weight304.47 g/mol
Exact Mass304.24
IUPAC Name(6Z,8Z)-8,9,10-trimethyl-5-methylidene-4-(2-methylpropanoyl)dodeca-6,8-dienal
SMILESC=C(/C=C\C(C)=C(\C)C(C)CC)C(CCC=O)C(=O)C(C)C
InChIInChI=1S/C20H32O2/c1-8-15(4)18(7)16(5)11-12-17(6)19(10-9-13-21)20(22)14(2)3/h11-15,19H,6,8-10H2,1-5,7H3/b12-11-,18-16-
InChIKeyJCTCLRUBEGSLOX-BHLQPLEVSA-N
XLogP5.30
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.47
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (6Z,8Z)-8,9,10-trimethyl-5-methylidene-4-(2-methylpropanoyl)dodeca-6,8-dienal with MolForge

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Related Compounds

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ethyl 2-methyl-5-oxopentanoate
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4-(ethylamino)-5-oxohexanal
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4,7-dimethyl-5-oxooctanal
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N,2-dimethyl-5-oxopentanamide
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(2S)-2-acetamido-5-[[(1S)-1-carboxy-4-[[(1S)-1-carboxy-4-[[(1S)-1-carboxy-4-oxobutyl]amino]-4-oxobutyl]amino]-4-oxobutyl]amino]-5-oxopentanoic acid
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ethyl 2,6-dimethyl-9-oxonon-5-enoate
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N-[(3S)-2-(dimethylamino)-6-oxohex-1-en-3-yl]acetamide
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CID 20591839

Frequently Asked Questions

What is the IUPAC name of (6Z,8Z)-8,9,10-trimethyl-5-methylidene-4-(2-methylpropanoyl)dodeca-6,8-dienal?
The IUPAC name of (6Z,8Z)-8,9,10-trimethyl-5-methylidene-4-(2-methylpropanoyl)dodeca-6,8-dienal (CID 172616805) is (6Z,8Z)-8,9,10-trimethyl-5-methylidene-4-(2-methylpropanoyl)dodeca-6,8-dienal.
What is the SMILES notation for (6Z,8Z)-8,9,10-trimethyl-5-methylidene-4-(2-methylpropanoyl)dodeca-6,8-dienal?
The canonical SMILES for (6Z,8Z)-8,9,10-trimethyl-5-methylidene-4-(2-methylpropanoyl)dodeca-6,8-dienal is C=C(/C=C\C(C)=C(\C)C(C)CC)C(CCC=O)C(=O)C(C)C.
What is the InChIKey of (6Z,8Z)-8,9,10-trimethyl-5-methylidene-4-(2-methylpropanoyl)dodeca-6,8-dienal?
The InChIKey is JCTCLRUBEGSLOX-BHLQPLEVSA-N. The full InChI is InChI=1S/C20H32O2/c1-8-15(4)18(7)16(5)11-12-17(6)19(10-9-13-21)20(22)14(2)3/h11-15,19H,6,8-10H2,1-5,7H3/b12-11-,18-16-.
What are the key properties of (6Z,8Z)-8,9,10-trimethyl-5-methylidene-4-(2-methylpropanoyl)dodeca-6,8-dienal?
(6Z,8Z)-8,9,10-trimethyl-5-methylidene-4-(2-methylpropanoyl)dodeca-6,8-dienal has a molecular weight of 304.47 g/mol, XLogP of 5.30, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z,8Z)-8,9,10-trimethyl-5-methylidene-4-(2-methylpropanoyl)dodeca-6,8-dienal is sourced from PubChem (CID 172616805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).