(Z)-6-hydroxy-2,6,10-trimethylpentadec-13-enoic acid

C18H34O3 — CID 59229287

IUPAC(Z)-6-hydroxy-2,6,10-trimethylpentadec-13-enoic acid
SMILESC/C=C\CCC(C)CCCC(C)(O)CCCC(C)C(=O)O
InChIInChI=1S/C18H34O3/c1-5-6-7-10-15(2)11-8-13-18(4,21)14-9-12-16(3)17(19)20/h5-6,15-16,21H,7-14H2,1-4H3,(H,19,20)/b6-5-
InChIKeyBLIPWBWWDBCLSU-WAYWQWQTSA-N
MW298.47 g/mol
LogP4.79
Rot. Bonds12

About (Z)-6-hydroxy-2,6,10-trimethylpentadec-13-enoic acid

(Z)-6-hydroxy-2,6,10-trimethylpentadec-13-enoic acid (PubChem CID 59229287) has the molecular formula C18H34O3 and a molecular weight of 298.47 g/mol. Its IUPAC name is (Z)-6-hydroxy-2,6,10-trimethylpentadec-13-enoic acid.

Molecular Properties

Compound Name(Z)-6-hydroxy-2,6,10-trimethylpentadec-13-enoic acid
PubChem CID59229287
Molecular FormulaC18H34O3
Molecular Weight298.47 g/mol
Exact Mass298.25
IUPAC Name(Z)-6-hydroxy-2,6,10-trimethylpentadec-13-enoic acid
SMILESC/C=C\CCC(C)CCCC(C)(O)CCCC(C)C(=O)O
InChIInChI=1S/C18H34O3/c1-5-6-7-10-15(2)11-8-13-18(4,21)14-9-12-16(3)17(19)20/h5-6,15-16,21H,7-14H2,1-4H3,(H,19,20)/b6-5-
InChIKeyBLIPWBWWDBCLSU-WAYWQWQTSA-N
XLogP4.79
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 54.79
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

(E,2R)-2-methylhept-5-enoic acid
CID 100977914
(E)-2-methylnon-7-enoic acid
CID 146276957
2,8,8-trimethylnon-6-enoic acid
CID 57003004
(E,6R)-2,6-dimethyldodec-10-en-2-amine
CID 142802272
2-methyl-6-oxohexanoic acid
CID 19986900
(E)-6-hydroxy-16-(3-hydroxy-4,5,6-trimethylcyclohexen-1-yl)-2,6,10,14-tetramethylhexadec-9-enoic acid
CID 129151583
6-hydroxy-2,6,10-trimethylpentadecanoate
CID 59229455
(E)-3-methyloct-6-en-1-ol
CID 14091580
2,15-dimethyloctadecanoic acid
CID 22251958
2,9,9-trimethyldecanoic acid
CID 142774628
9-hydroxy-5,9-dimethyldecanoic acid
CID 170558406
2,10-dimethyltridecanoic acid
CID 22251986

Frequently Asked Questions

What is the IUPAC name of (Z)-6-hydroxy-2,6,10-trimethylpentadec-13-enoic acid?
The IUPAC name of (Z)-6-hydroxy-2,6,10-trimethylpentadec-13-enoic acid (CID 59229287) is (Z)-6-hydroxy-2,6,10-trimethylpentadec-13-enoic acid.
What is the SMILES notation for (Z)-6-hydroxy-2,6,10-trimethylpentadec-13-enoic acid?
The canonical SMILES for (Z)-6-hydroxy-2,6,10-trimethylpentadec-13-enoic acid is C/C=C\CCC(C)CCCC(C)(O)CCCC(C)C(=O)O.
What is the InChIKey of (Z)-6-hydroxy-2,6,10-trimethylpentadec-13-enoic acid?
The InChIKey is BLIPWBWWDBCLSU-WAYWQWQTSA-N. The full InChI is InChI=1S/C18H34O3/c1-5-6-7-10-15(2)11-8-13-18(4,21)14-9-12-16(3)17(19)20/h5-6,15-16,21H,7-14H2,1-4H3,(H,19,20)/b6-5-.
What are the key properties of (Z)-6-hydroxy-2,6,10-trimethylpentadec-13-enoic acid?
(Z)-6-hydroxy-2,6,10-trimethylpentadec-13-enoic acid has a molecular weight of 298.47 g/mol, XLogP of 4.79, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-6-hydroxy-2,6,10-trimethylpentadec-13-enoic acid is sourced from PubChem (CID 59229287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).