2,2,3-trimethyltridecane-5,8-diol

C16H34O2 — CID 89287146

IUPAC2,2,3-trimethyltridecane-5,8-diol
SMILESCCCCCC(O)CCC(O)CC(C)C(C)(C)C
InChIInChI=1S/C16H34O2/c1-6-7-8-9-14(17)10-11-15(18)12-13(2)16(3,4)5/h13-15,17-18H,6-12H2,1-5H3
InChIKeyFOQUXWKXDZZDIO-UHFFFAOYSA-N
MW258.45 g/mol
LogP4.14
Rot. Bonds9

About 2,2,3-trimethyltridecane-5,8-diol

2,2,3-trimethyltridecane-5,8-diol (PubChem CID 89287146) has the molecular formula C16H34O2 and a molecular weight of 258.45 g/mol. Its IUPAC name is 2,2,3-trimethyltridecane-5,8-diol.

Molecular Properties

Compound Name2,2,3-trimethyltridecane-5,8-diol
PubChem CID89287146
Molecular FormulaC16H34O2
Molecular Weight258.45 g/mol
Exact Mass258.26
IUPAC Name2,2,3-trimethyltridecane-5,8-diol
SMILESCCCCCC(O)CCC(O)CC(C)C(C)(C)C
InChIInChI=1S/C16H34O2/c1-6-7-8-9-14(17)10-11-15(18)12-13(2)16(3,4)5/h13-15,17-18H,6-12H2,1-5H3
InChIKeyFOQUXWKXDZZDIO-UHFFFAOYSA-N
XLogP4.14
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.45
LogP ≤ 54.14
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 101412726
(3R,5R)-2,3-dimethylnonane-2,5-diol
CID 10465096
(4S)-2-methylnonan-4-ol
CID 86308805
(7S,9R)-tetratriacontane-7,9-diol
CID 165357894
triacontane-6,8-diol
CID 85096450
(6S,8S)-heptacosane-6,8-diol
CID 10693038
hentriacontane-14,16-diol
CID 87514654
(5S,7R)-dodecane-5,7-diol
CID 12060471
(3S,5S)-2-methylundecane-3,5-diol
CID 14784007
(7R)-hexatriacontan-7-ol
CID 88529159
nonacosane-7,20-diol
CID 174949468
icosan-9-ol
CID 11983377

Frequently Asked Questions

What is the IUPAC name of 2,2,3-trimethyltridecane-5,8-diol?
The IUPAC name of 2,2,3-trimethyltridecane-5,8-diol (CID 89287146) is 2,2,3-trimethyltridecane-5,8-diol.
What is the SMILES notation for 2,2,3-trimethyltridecane-5,8-diol?
The canonical SMILES for 2,2,3-trimethyltridecane-5,8-diol is CCCCCC(O)CCC(O)CC(C)C(C)(C)C.
What is the InChIKey of 2,2,3-trimethyltridecane-5,8-diol?
The InChIKey is FOQUXWKXDZZDIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34O2/c1-6-7-8-9-14(17)10-11-15(18)12-13(2)16(3,4)5/h13-15,17-18H,6-12H2,1-5H3.
What are the key properties of 2,2,3-trimethyltridecane-5,8-diol?
2,2,3-trimethyltridecane-5,8-diol has a molecular weight of 258.45 g/mol, XLogP of 4.14, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-trimethyltridecane-5,8-diol is sourced from PubChem (CID 89287146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).