(2E,4E,6E,8E,10E,12E,14R,16R,17S)-17-hydroxy-14,16-dimethyloctadeca-2,4,6,8,10,12-hexaenal

C20H28O2 — CID 101481777

IUPAC(2E,4E,6E,8E,10E,12E,14R,16R,17S)-17-hydroxy-14,16-dimethyloctadeca-2,4,6,8,10,12-hexaenal
SMILESC[C@H](O)[C@H](C)C[C@@H](C)/C=C/C=C/C=C/C=C/C=C/C=C/C=O
InChIInChI=1S/C20H28O2/c1-18(17-19(2)20(3)22)15-13-11-9-7-5-4-6-8-10-12-14-16-21/h4-16,18-20,22H,17H2,1-3H3/b6-4+,7-5+,10-8+,11-9+,14-12+,15-13+/t18-,19+,20-/m0/s1
InChIKeyYSKXBNISLOSVKE-VDZIDOKLSA-N
MW300.44 g/mol
LogP4.57
Rot. Bonds10

About (2E,4E,6E,8E,10E,12E,14R,16R,17S)-17-hydroxy-14,16-dimethyloctadeca-2,4,6,8,10,12-hexaenal

(2E,4E,6E,8E,10E,12E,14R,16R,17S)-17-hydroxy-14,16-dimethyloctadeca-2,4,6,8,10,12-hexaenal (PubChem CID 101481777) has the molecular formula C20H28O2 and a molecular weight of 300.44 g/mol. Its IUPAC name is (2E,4E,6E,8E,10E,12E,14R,16R,17S)-17-hydroxy-14,16-dimethyloctadeca-2,4,6,8,10,12-hexaenal.

Molecular Properties

Compound Name(2E,4E,6E,8E,10E,12E,14R,16R,17S)-17-hydroxy-14,16-dimethyloctadeca-2,4,6,8,10,12-hexaenal
PubChem CID101481777
Molecular FormulaC20H28O2
Molecular Weight300.44 g/mol
Exact Mass300.21
IUPAC Name(2E,4E,6E,8E,10E,12E,14R,16R,17S)-17-hydroxy-14,16-dimethyloctadeca-2,4,6,8,10,12-hexaenal
SMILESC[C@H](O)[C@H](C)C[C@@H](C)/C=C/C=C/C=C/C=C/C=C/C=C/C=O
InChIInChI=1S/C20H28O2/c1-18(17-19(2)20(3)22)15-13-11-9-7-5-4-6-8-10-12-14-16-21/h4-16,18-20,22H,17H2,1-3H3/b6-4+,7-5+,10-8+,11-9+,14-12+,15-13+/t18-,19+,20-/m0/s1
InChIKeyYSKXBNISLOSVKE-VDZIDOKLSA-N
XLogP4.57
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.44
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (2E,4E,6E,8E,10E,12E,14R,16R,17S)-17-hydroxy-14,16-dimethyloctadeca-2,4,6,8,10,12-hexaenal with MolForge

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Launch Full Analysis

Related Compounds

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CID 101716226
11-(4-Hydroxy-2,6,6-trimethylcyclohexen-1-yl)-5,9-dimethylundeca-2,4,6,8,10-pentaenal
CID 145089401
(2E,4Z,6E,8E,10E)-11-[(4R)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl]-5,9-dimethylundeca-2,4,6,8,10-pentaenal
CID 162881117
(2E,4E,6E,8E,10E,12E,14S,15R,16S,17S)-15-[tert-butyl(dimethyl)silyl]oxy-17-hydroxy-14,16-dimethyloctadeca-2,4,6,8,10,12-hexaenal
CID 10993704
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Penicillquei C
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(3E,5E,7E,9E,12E,18E,20E,22E,24E,26E)-15,17-dihydroxy-14,16-dimethyloctacosa-3,5,7,9,12,18,20,22,24,26-decaen-2-one
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Frequently Asked Questions

What is the IUPAC name of (2E,4E,6E,8E,10E,12E,14R,16R,17S)-17-hydroxy-14,16-dimethyloctadeca-2,4,6,8,10,12-hexaenal?
The IUPAC name of (2E,4E,6E,8E,10E,12E,14R,16R,17S)-17-hydroxy-14,16-dimethyloctadeca-2,4,6,8,10,12-hexaenal (CID 101481777) is (2E,4E,6E,8E,10E,12E,14R,16R,17S)-17-hydroxy-14,16-dimethyloctadeca-2,4,6,8,10,12-hexaenal.
What is the SMILES notation for (2E,4E,6E,8E,10E,12E,14R,16R,17S)-17-hydroxy-14,16-dimethyloctadeca-2,4,6,8,10,12-hexaenal?
The canonical SMILES for (2E,4E,6E,8E,10E,12E,14R,16R,17S)-17-hydroxy-14,16-dimethyloctadeca-2,4,6,8,10,12-hexaenal is C[C@H](O)[C@H](C)C[C@@H](C)/C=C/C=C/C=C/C=C/C=C/C=C/C=O.
What is the InChIKey of (2E,4E,6E,8E,10E,12E,14R,16R,17S)-17-hydroxy-14,16-dimethyloctadeca-2,4,6,8,10,12-hexaenal?
The InChIKey is YSKXBNISLOSVKE-VDZIDOKLSA-N. The full InChI is InChI=1S/C20H28O2/c1-18(17-19(2)20(3)22)15-13-11-9-7-5-4-6-8-10-12-14-16-21/h4-16,18-20,22H,17H2,1-3H3/b6-4+,7-5+,10-8+,11-9+,14-12+,15-13+/t18-,19+,20-/m0/s1.
What are the key properties of (2E,4E,6E,8E,10E,12E,14R,16R,17S)-17-hydroxy-14,16-dimethyloctadeca-2,4,6,8,10,12-hexaenal?
(2E,4E,6E,8E,10E,12E,14R,16R,17S)-17-hydroxy-14,16-dimethyloctadeca-2,4,6,8,10,12-hexaenal has a molecular weight of 300.44 g/mol, XLogP of 4.57, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E,6E,8E,10E,12E,14R,16R,17S)-17-hydroxy-14,16-dimethyloctadeca-2,4,6,8,10,12-hexaenal is sourced from PubChem (CID 101481777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).