(6R,8R)-trideca-1,12-diene-6,8-diol

C13H24O2 — CID 10584668

IUPAC(6R,8R)-trideca-1,12-diene-6,8-diol
SMILESC=CCCC[C@@H](O)C[C@H](O)CCCC=C
InChIInChI=1S/C13H24O2/c1-3-5-7-9-12(14)11-13(15)10-8-6-4-2/h3-4,12-15H,1-2,5-11H2/t12-,13-/m1/s1
InChIKeyRPGWIEFLHKFWAP-CHWSQXEVSA-N
MW212.33 g/mol
LogP2.81
Rot. Bonds10

About (6R,8R)-trideca-1,12-diene-6,8-diol

(6R,8R)-trideca-1,12-diene-6,8-diol (PubChem CID 10584668) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is (6R,8R)-trideca-1,12-diene-6,8-diol.

Molecular Properties

Compound Name(6R,8R)-trideca-1,12-diene-6,8-diol
PubChem CID10584668
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name(6R,8R)-trideca-1,12-diene-6,8-diol
SMILESC=CCCC[C@@H](O)C[C@H](O)CCCC=C
InChIInChI=1S/C13H24O2/c1-3-5-7-9-12(14)11-13(15)10-8-6-4-2/h3-4,12-15H,1-2,5-11H2/t12-,13-/m1/s1
InChIKeyRPGWIEFLHKFWAP-CHWSQXEVSA-N
XLogP2.81
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 171749801
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CID 14385456
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CID 87864573
3-hydroxyoct-7-enenitrile
CID 23468119
3-methylpentadec-14-en-5-ol
CID 10823994
1-fluorohex-5-en-1-ol
CID 165382533
(5R)-5-hydroxydec-9-enoic acid
CID 97184595
1-bromooct-7-en-2-ol
CID 12003548
1-propan-2-yloxyhept-6-en-2-ol
CID 105102103
nonadec-18-en-7-ol
CID 54362965
(9S)-heptadec-1-en-9-ol
CID 86644250
(3S,5R)-nona-1,8-diene-3,5-diol
CID 132534592

Frequently Asked Questions

What is the IUPAC name of (6R,8R)-trideca-1,12-diene-6,8-diol?
The IUPAC name of (6R,8R)-trideca-1,12-diene-6,8-diol (CID 10584668) is (6R,8R)-trideca-1,12-diene-6,8-diol.
What is the SMILES notation for (6R,8R)-trideca-1,12-diene-6,8-diol?
The canonical SMILES for (6R,8R)-trideca-1,12-diene-6,8-diol is C=CCCC[C@@H](O)C[C@H](O)CCCC=C.
What is the InChIKey of (6R,8R)-trideca-1,12-diene-6,8-diol?
The InChIKey is RPGWIEFLHKFWAP-CHWSQXEVSA-N. The full InChI is InChI=1S/C13H24O2/c1-3-5-7-9-12(14)11-13(15)10-8-6-4-2/h3-4,12-15H,1-2,5-11H2/t12-,13-/m1/s1.
What are the key properties of (6R,8R)-trideca-1,12-diene-6,8-diol?
(6R,8R)-trideca-1,12-diene-6,8-diol has a molecular weight of 212.33 g/mol, XLogP of 2.81, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,8R)-trideca-1,12-diene-6,8-diol is sourced from PubChem (CID 10584668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).