(3S,6E,10E)-12-hydroxy-3,7,11-trimethyldodeca-6,10-dienoic acid

C15H26O3 — CID 162413373

IUPAC(3S,6E,10E)-12-hydroxy-3,7,11-trimethyldodeca-6,10-dienoic acid
SMILESC/C(=C\CC/C(C)=C/CC[C@H](C)CC(=O)O)CO
InChIInChI=1S/C15H26O3/c1-12(7-5-9-14(3)11-16)6-4-8-13(2)10-15(17)18/h6,9,13,16H,4-5,7-8,10-11H2,1-3H3,(H,17,18)/b12-6+,14-9+/t13-/m0/s1
InChIKeyUODZQBKRIGIFAH-GWKMEYDESA-N
MW254.37 g/mol
LogP3.54
Rot. Bonds9

About (3S,6E,10E)-12-hydroxy-3,7,11-trimethyldodeca-6,10-dienoic acid

(3S,6E,10E)-12-hydroxy-3,7,11-trimethyldodeca-6,10-dienoic acid (PubChem CID 162413373) has the molecular formula C15H26O3 and a molecular weight of 254.37 g/mol. Its IUPAC name is (3S,6E,10E)-12-hydroxy-3,7,11-trimethyldodeca-6,10-dienoic acid.

Molecular Properties

Compound Name(3S,6E,10E)-12-hydroxy-3,7,11-trimethyldodeca-6,10-dienoic acid
PubChem CID162413373
Molecular FormulaC15H26O3
Molecular Weight254.37 g/mol
Exact Mass254.19
IUPAC Name(3S,6E,10E)-12-hydroxy-3,7,11-trimethyldodeca-6,10-dienoic acid
SMILESC/C(=C\CC/C(C)=C/CC[C@H](C)CC(=O)O)CO
InChIInChI=1S/C15H26O3/c1-12(7-5-9-14(3)11-16)6-4-8-13(2)10-15(17)18/h6,9,13,16H,4-5,7-8,10-11H2,1-3H3,(H,17,18)/b12-6+,14-9+/t13-/m0/s1
InChIKeyUODZQBKRIGIFAH-GWKMEYDESA-N
XLogP3.54
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 53.54
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
(4R)-4-[(5R)-5-(3-hydroxyprop-1-en-2-yl)-2-methylcyclohexen-1-yl]pentanoic acid
CID 122181869
Hydroxyl citronellal
CID 129702535
2,7-Dimethyl-6-octenoic acid
CID 5282668
2,6R-Dimethyl-2E-octen-1,8-dioic acid
CID 56935840
(3S,5S)-3-(4-hydroxy-3-methylbut-2-enyl)-5-methyloxolan-2-one
CID 130876180
Vibralactone G
CID 139587656
Gliomacid B
CID 139590656

Frequently Asked Questions

What is the IUPAC name of (3S,6E,10E)-12-hydroxy-3,7,11-trimethyldodeca-6,10-dienoic acid?
The IUPAC name of (3S,6E,10E)-12-hydroxy-3,7,11-trimethyldodeca-6,10-dienoic acid (CID 162413373) is (3S,6E,10E)-12-hydroxy-3,7,11-trimethyldodeca-6,10-dienoic acid.
What is the SMILES notation for (3S,6E,10E)-12-hydroxy-3,7,11-trimethyldodeca-6,10-dienoic acid?
The canonical SMILES for (3S,6E,10E)-12-hydroxy-3,7,11-trimethyldodeca-6,10-dienoic acid is C/C(=C\CC/C(C)=C/CC[C@H](C)CC(=O)O)CO.
What is the InChIKey of (3S,6E,10E)-12-hydroxy-3,7,11-trimethyldodeca-6,10-dienoic acid?
The InChIKey is UODZQBKRIGIFAH-GWKMEYDESA-N. The full InChI is InChI=1S/C15H26O3/c1-12(7-5-9-14(3)11-16)6-4-8-13(2)10-15(17)18/h6,9,13,16H,4-5,7-8,10-11H2,1-3H3,(H,17,18)/b12-6+,14-9+/t13-/m0/s1.
What are the key properties of (3S,6E,10E)-12-hydroxy-3,7,11-trimethyldodeca-6,10-dienoic acid?
(3S,6E,10E)-12-hydroxy-3,7,11-trimethyldodeca-6,10-dienoic acid has a molecular weight of 254.37 g/mol, XLogP of 3.54, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,6E,10E)-12-hydroxy-3,7,11-trimethyldodeca-6,10-dienoic acid is sourced from PubChem (CID 162413373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).