(6Z,10E)-7-(hydroxymethyl)-3,11,15-trimethylhexadeca-6,10,14-trienoic acid

C20H34O3 — CID 6438601

IUPAC(6Z,10E)-7-(hydroxymethyl)-3,11,15-trimethylhexadeca-6,10,14-trienoic acid
SMILESCC(C)=CCC/C(C)=C/CC/C(=C/CCC(C)CC(=O)O)CO
InChIInChI=1S/C20H34O3/c1-16(2)8-5-9-17(3)10-6-12-19(15-21)13-7-11-18(4)14-20(22)23/h8,10,13,18,21H,5-7,9,11-12,14-15H2,1-4H3,(H,22,23)/b17-10+,19-13-
InChIKeyOVVTVTNNTXBTMP-HVFGMAQXSA-N
MW322.49 g/mol
LogP5.27
Rot. Bonds12

About (6Z,10E)-7-(hydroxymethyl)-3,11,15-trimethylhexadeca-6,10,14-trienoic acid

(6Z,10E)-7-(hydroxymethyl)-3,11,15-trimethylhexadeca-6,10,14-trienoic acid (PubChem CID 6438601) has the molecular formula C20H34O3 and a molecular weight of 322.49 g/mol. Its IUPAC name is (6Z,10E)-7-(hydroxymethyl)-3,11,15-trimethylhexadeca-6,10,14-trienoic acid.

Molecular Properties

Compound Name(6Z,10E)-7-(hydroxymethyl)-3,11,15-trimethylhexadeca-6,10,14-trienoic acid
PubChem CID6438601
Molecular FormulaC20H34O3
Molecular Weight322.49 g/mol
Exact Mass322.25
IUPAC Name(6Z,10E)-7-(hydroxymethyl)-3,11,15-trimethylhexadeca-6,10,14-trienoic acid
SMILESCC(C)=CCC/C(C)=C/CC/C(=C/CCC(C)CC(=O)O)CO
InChIInChI=1S/C20H34O3/c1-16(2)8-5-9-17(3)10-6-12-19(15-21)13-7-11-18(4)14-20(22)23/h8,10,13,18,21H,5-7,9,11-12,14-15H2,1-4H3,(H,22,23)/b17-10+,19-13-
InChIKeyOVVTVTNNTXBTMP-HVFGMAQXSA-N
XLogP5.27
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.49
LogP ≤ 55.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Citronellic acid
CID 10402
(R)-(+)-citronellic acid
CID 6999957
(S)-(-)-Citronellic acid
CID 6999955
(E)-3,7,11-trimethyl-6,10-dodecadienoic acid
CID 10105638
(2E,6R)-8-hydroxy-2,6-dimethyl-2-octenoic acid
CID 10352414
3S,7,11-Trimethyl-6,10-dodecadienoic acid
CID 44256497
Cubensic acid
CID 11606134
3,7,11,15-Tetrahydroxy-18-(hydroxymethyl)-2,4,6,10,14,16,20-heptamethyldocosa-4,8,12,16-tetraenoic acid
CID 73027129
Pbt-3
CID 11725338
2,6R-Dimethyl-2E-octen-1,8-dioic acid
CID 56935840
(1E,4R,7E,11E)-7,11-dimethyl-4-[(2E)-6-methylhepta-2,5-dien-2-yl]cyclotetradeca-1,7,11-triene-1-carboxylic acid
CID 101967174
(4S)-7,11-dimethyl-4-(6-methylhepta-2,5-dien-2-yl)cyclotetradeca-1,7,11-triene-1-carboxylic acid
CID 162909854

Frequently Asked Questions

What is the IUPAC name of (6Z,10E)-7-(hydroxymethyl)-3,11,15-trimethylhexadeca-6,10,14-trienoic acid?
The IUPAC name of (6Z,10E)-7-(hydroxymethyl)-3,11,15-trimethylhexadeca-6,10,14-trienoic acid (CID 6438601) is (6Z,10E)-7-(hydroxymethyl)-3,11,15-trimethylhexadeca-6,10,14-trienoic acid.
What is the SMILES notation for (6Z,10E)-7-(hydroxymethyl)-3,11,15-trimethylhexadeca-6,10,14-trienoic acid?
The canonical SMILES for (6Z,10E)-7-(hydroxymethyl)-3,11,15-trimethylhexadeca-6,10,14-trienoic acid is CC(C)=CCC/C(C)=C/CC/C(=C/CCC(C)CC(=O)O)CO.
What is the InChIKey of (6Z,10E)-7-(hydroxymethyl)-3,11,15-trimethylhexadeca-6,10,14-trienoic acid?
The InChIKey is OVVTVTNNTXBTMP-HVFGMAQXSA-N. The full InChI is InChI=1S/C20H34O3/c1-16(2)8-5-9-17(3)10-6-12-19(15-21)13-7-11-18(4)14-20(22)23/h8,10,13,18,21H,5-7,9,11-12,14-15H2,1-4H3,(H,22,23)/b17-10+,19-13-.
What are the key properties of (6Z,10E)-7-(hydroxymethyl)-3,11,15-trimethylhexadeca-6,10,14-trienoic acid?
(6Z,10E)-7-(hydroxymethyl)-3,11,15-trimethylhexadeca-6,10,14-trienoic acid has a molecular weight of 322.49 g/mol, XLogP of 5.27, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z,10E)-7-(hydroxymethyl)-3,11,15-trimethylhexadeca-6,10,14-trienoic acid is sourced from PubChem (CID 6438601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).