(5S,6S,7R,8R)-5,7-dimethyltridecane-6,8-diol

C15H32O2 — CID 102436924

IUPAC(5S,6S,7R,8R)-5,7-dimethyltridecane-6,8-diol
SMILESCCCCC[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)CCCC
InChIInChI=1S/C15H32O2/c1-5-7-9-11-14(16)13(4)15(17)12(3)10-8-6-2/h12-17H,5-11H2,1-4H3/t12-,13+,14+,15-/m0/s1
InChIKeyPSPSSBOYDRWNHZ-YJNKXOJESA-N
MW244.42 g/mol
LogP3.75
Rot. Bonds10

About (5S,6S,7R,8R)-5,7-dimethyltridecane-6,8-diol

(5S,6S,7R,8R)-5,7-dimethyltridecane-6,8-diol (PubChem CID 102436924) has the molecular formula C15H32O2 and a molecular weight of 244.42 g/mol. Its IUPAC name is (5S,6S,7R,8R)-5,7-dimethyltridecane-6,8-diol.

Molecular Properties

Compound Name(5S,6S,7R,8R)-5,7-dimethyltridecane-6,8-diol
PubChem CID102436924
Molecular FormulaC15H32O2
Molecular Weight244.42 g/mol
Exact Mass244.24
IUPAC Name(5S,6S,7R,8R)-5,7-dimethyltridecane-6,8-diol
SMILESCCCCC[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)CCCC
InChIInChI=1S/C15H32O2/c1-5-7-9-11-14(16)13(4)15(17)12(3)10-8-6-2/h12-17H,5-11H2,1-4H3/t12-,13+,14+,15-/m0/s1
InChIKeyPSPSSBOYDRWNHZ-YJNKXOJESA-N
XLogP3.75
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.42
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 122652609
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CID 173156608
2,3-dimethylundecan-4-ol
CID 115783082
nonacosane-14,15-diol
CID 91509633
tridecane-2,3,4-triol
CID 90443062
4-methyltricosan-3-ol
CID 171485506
4-methyltetratriacontan-3-ol
CID 170847937
2-methyldodecane-3,4-diol
CID 103456553
4-methyltetradecan-5-ol
CID 65149403
(2R,3R)-3-methylpentadecan-2-ol
CID 94864867
(2R,3S)-dodecane-2,3-diol
CID 163394646

Frequently Asked Questions

What is the IUPAC name of (5S,6S,7R,8R)-5,7-dimethyltridecane-6,8-diol?
The IUPAC name of (5S,6S,7R,8R)-5,7-dimethyltridecane-6,8-diol (CID 102436924) is (5S,6S,7R,8R)-5,7-dimethyltridecane-6,8-diol.
What is the SMILES notation for (5S,6S,7R,8R)-5,7-dimethyltridecane-6,8-diol?
The canonical SMILES for (5S,6S,7R,8R)-5,7-dimethyltridecane-6,8-diol is CCCCC[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)CCCC.
What is the InChIKey of (5S,6S,7R,8R)-5,7-dimethyltridecane-6,8-diol?
The InChIKey is PSPSSBOYDRWNHZ-YJNKXOJESA-N. The full InChI is InChI=1S/C15H32O2/c1-5-7-9-11-14(16)13(4)15(17)12(3)10-8-6-2/h12-17H,5-11H2,1-4H3/t12-,13+,14+,15-/m0/s1.
What are the key properties of (5S,6S,7R,8R)-5,7-dimethyltridecane-6,8-diol?
(5S,6S,7R,8R)-5,7-dimethyltridecane-6,8-diol has a molecular weight of 244.42 g/mol, XLogP of 3.75, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6S,7R,8R)-5,7-dimethyltridecane-6,8-diol is sourced from PubChem (CID 102436924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).