5-propyldecane-4,4-diol

C13H28O2 — CID 156789084

IUPAC5-propyldecane-4,4-diol
SMILESCCCCCC(CCC)C(O)(O)CCC
InChIInChI=1S/C13H28O2/c1-4-7-8-10-12(9-5-2)13(14,15)11-6-3/h12,14-15H,4-11H2,1-3H3
InChIKeyDCPNRJLPKFGARP-UHFFFAOYSA-N
MW216.36 g/mol
LogP3.46
Rot. Bonds9

About 5-propyldecane-4,4-diol

5-propyldecane-4,4-diol (PubChem CID 156789084) has the molecular formula C13H28O2 and a molecular weight of 216.36 g/mol. Its IUPAC name is 5-propyldecane-4,4-diol.

Molecular Properties

Compound Name5-propyldecane-4,4-diol
PubChem CID156789084
Molecular FormulaC13H28O2
Molecular Weight216.36 g/mol
Exact Mass216.21
IUPAC Name5-propyldecane-4,4-diol
SMILESCCCCCC(CCC)C(O)(O)CCC
InChIInChI=1S/C13H28O2/c1-4-7-8-10-12(9-5-2)13(14,15)11-6-3/h12,14-15H,4-11H2,1-3H3
InChIKeyDCPNRJLPKFGARP-UHFFFAOYSA-N
XLogP3.46
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.36
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

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10-butyl-9-octyloctadecan-9-ol
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5,6-dibutyldodecan-5-ol
CID 91807952
4-ethylundecane-3,3-diol
CID 156789030
16-butyl-15-tetradecylhentriacontan-15-ol
CID 175499953
4,4-dimethoxy-5-propyltridecane
CID 151317508
4,4-diethoxy-5-propyltridecane
CID 152734568
3-ethyl-4-pentyldodecan-3-ol
CID 91804160
(5-butyl-6-propylnonadecan-5-yl)phosphane
CID 22597089

Frequently Asked Questions

What is the IUPAC name of 5-propyldecane-4,4-diol?
The IUPAC name of 5-propyldecane-4,4-diol (CID 156789084) is 5-propyldecane-4,4-diol.
What is the SMILES notation for 5-propyldecane-4,4-diol?
The canonical SMILES for 5-propyldecane-4,4-diol is CCCCCC(CCC)C(O)(O)CCC.
What is the InChIKey of 5-propyldecane-4,4-diol?
The InChIKey is DCPNRJLPKFGARP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O2/c1-4-7-8-10-12(9-5-2)13(14,15)11-6-3/h12,14-15H,4-11H2,1-3H3.
What are the key properties of 5-propyldecane-4,4-diol?
5-propyldecane-4,4-diol has a molecular weight of 216.36 g/mol, XLogP of 3.46, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propyldecane-4,4-diol is sourced from PubChem (CID 156789084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).