(6R)-6-hydroxytrideca-7,8-dien-10,12-diynoic acid

C13H14O3 — CID 10443368

IUPAC(6R)-6-hydroxytrideca-7,8-dien-10,12-diynoic acid
SMILESC#CC#CC=C=C[C@H](O)CCCCC(=O)O
InChIInChI=1S/C13H14O3/c1-2-3-4-5-6-9-12(14)10-7-8-11-13(15)16/h1,5,9,12,14H,7-8,10-11H2,(H,15,16)/t6?,12-/m0/s1
InChIKeyWVRANUKWDFBAOQ-ZZUHDNHVSA-N
MW218.25 g/mol
LogP1.34
Rot. Bonds6

About (6R)-6-hydroxytrideca-7,8-dien-10,12-diynoic acid

(6R)-6-hydroxytrideca-7,8-dien-10,12-diynoic acid (PubChem CID 10443368) has the molecular formula C13H14O3 and a molecular weight of 218.25 g/mol. Its IUPAC name is (6R)-6-hydroxytrideca-7,8-dien-10,12-diynoic acid.

Molecular Properties

Compound Name(6R)-6-hydroxytrideca-7,8-dien-10,12-diynoic acid
PubChem CID10443368
Molecular FormulaC13H14O3
Molecular Weight218.25 g/mol
Exact Mass218.09
IUPAC Name(6R)-6-hydroxytrideca-7,8-dien-10,12-diynoic acid
SMILESC#CC#CC=C=C[C@H](O)CCCCC(=O)O
InChIInChI=1S/C13H14O3/c1-2-3-4-5-6-9-12(14)10-7-8-11-13(15)16/h1,5,9,12,14H,7-8,10-11H2,(H,15,16)/t6?,12-/m0/s1
InChIKeyWVRANUKWDFBAOQ-ZZUHDNHVSA-N
XLogP1.34
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-hydroxyundeca-5,6-dien-8,10-diynoic acid
CID 3035283
(9S)-9-hydroxyundec-10-enoic acid
CID 73242170
(9R)-9-hydroxyundec-10-enoic acid
CID 24874221
17,18,19-trihydroxypentatriacontanedioic acid
CID 22665136
deca-7,9-diynoic acid
CID 23238817
(16R)-9,16-dihydroxyoctadeca-10,17-dien-12,14-diynoic acid
CID 90024114
7,8-dihydroxyhexadecanedioic acid
CID 14556981
(E)-7,10,18-trihydroxyoctadec-8-enoic acid
CID 146242215
5,5-dihydroxypentanoic acid
CID 57194054
6-chloro-6-hydroxyhexanoic acid
CID 175264198
5-hydroxytridecanedioic acid
CID 139805426
2-hydroxyheptanedioic acid
CID 160889869

Frequently Asked Questions

What is the IUPAC name of (6R)-6-hydroxytrideca-7,8-dien-10,12-diynoic acid?
The IUPAC name of (6R)-6-hydroxytrideca-7,8-dien-10,12-diynoic acid (CID 10443368) is (6R)-6-hydroxytrideca-7,8-dien-10,12-diynoic acid.
What is the SMILES notation for (6R)-6-hydroxytrideca-7,8-dien-10,12-diynoic acid?
The canonical SMILES for (6R)-6-hydroxytrideca-7,8-dien-10,12-diynoic acid is C#CC#CC=C=C[C@H](O)CCCCC(=O)O.
What is the InChIKey of (6R)-6-hydroxytrideca-7,8-dien-10,12-diynoic acid?
The InChIKey is WVRANUKWDFBAOQ-ZZUHDNHVSA-N. The full InChI is InChI=1S/C13H14O3/c1-2-3-4-5-6-9-12(14)10-7-8-11-13(15)16/h1,5,9,12,14H,7-8,10-11H2,(H,15,16)/t6?,12-/m0/s1.
What are the key properties of (6R)-6-hydroxytrideca-7,8-dien-10,12-diynoic acid?
(6R)-6-hydroxytrideca-7,8-dien-10,12-diynoic acid has a molecular weight of 218.25 g/mol, XLogP of 1.34, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-hydroxytrideca-7,8-dien-10,12-diynoic acid is sourced from PubChem (CID 10443368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).