(7S,9R)-tetratriacontane-7,9-diol

C34H70O2 — CID 165357894

IUPAC(7S,9R)-tetratriacontane-7,9-diol
SMILESCCCCCCCCCCCCCCCCCCCCCCCCC[C@@H](O)C[C@@H](O)CCCCCC
InChIInChI=1S/C34H70O2/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-29-31-34(36)32-33(35)30-28-8-6-4-2/h33-36H,3-32H2,1-2H3/t33-,34+/m0/s1
InChIKeyNYYUWEYTAIMBFM-SZAHLOSFSA-N
MW510.93 g/mol
LogP11.45
Rot. Bonds31

About (7S,9R)-tetratriacontane-7,9-diol

(7S,9R)-tetratriacontane-7,9-diol (PubChem CID 165357894) has the molecular formula C34H70O2 and a molecular weight of 510.93 g/mol. Its IUPAC name is (7S,9R)-tetratriacontane-7,9-diol.

Molecular Properties

Compound Name(7S,9R)-tetratriacontane-7,9-diol
PubChem CID165357894
Molecular FormulaC34H70O2
Molecular Weight510.93 g/mol
Exact Mass510.54
IUPAC Name(7S,9R)-tetratriacontane-7,9-diol
SMILESCCCCCCCCCCCCCCCCCCCCCCCCC[C@@H](O)C[C@@H](O)CCCCCC
InChIInChI=1S/C34H70O2/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-29-31-34(36)32-33(35)30-28-8-6-4-2/h33-36H,3-32H2,1-2H3/t33-,34+/m0/s1
InChIKeyNYYUWEYTAIMBFM-SZAHLOSFSA-N
XLogP11.45
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds31
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.93
LogP ≤ 511.45
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 10693038
(5S,7R)-dodecane-5,7-diol
CID 12060471
tetratetracontan-22-ol
CID 91434437
(5R,7S)-undecane-5,7-diol
CID 10899409
nonacosane-7,20-diol
CID 174949468
(7R)-hexatriacontan-7-ol
CID 88529159
icosan-9-ol
CID 11983377
tetracosan-6-ol
CID 154265400
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CID 19931277
hexatriacontan-17-ol
CID 3020851

Frequently Asked Questions

What is the IUPAC name of (7S,9R)-tetratriacontane-7,9-diol?
The IUPAC name of (7S,9R)-tetratriacontane-7,9-diol (CID 165357894) is (7S,9R)-tetratriacontane-7,9-diol.
What is the SMILES notation for (7S,9R)-tetratriacontane-7,9-diol?
The canonical SMILES for (7S,9R)-tetratriacontane-7,9-diol is CCCCCCCCCCCCCCCCCCCCCCCCC[C@@H](O)C[C@@H](O)CCCCCC.
What is the InChIKey of (7S,9R)-tetratriacontane-7,9-diol?
The InChIKey is NYYUWEYTAIMBFM-SZAHLOSFSA-N. The full InChI is InChI=1S/C34H70O2/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-29-31-34(36)32-33(35)30-28-8-6-4-2/h33-36H,3-32H2,1-2H3/t33-,34+/m0/s1.
What are the key properties of (7S,9R)-tetratriacontane-7,9-diol?
(7S,9R)-tetratriacontane-7,9-diol has a molecular weight of 510.93 g/mol, XLogP of 11.45, 31 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7S,9R)-tetratriacontane-7,9-diol is sourced from PubChem (CID 165357894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).