5-ethylpentadecane-6,7-diol

C17H36O2 — CID 123906465

IUPAC5-ethylpentadecane-6,7-diol
SMILESCCCCCCCCC(O)C(O)C(CC)CCCC
InChIInChI=1S/C17H36O2/c1-4-7-9-10-11-12-14-16(18)17(19)15(6-3)13-8-5-2/h15-19H,4-14H2,1-3H3
InChIKeyBFEFZCMNOJAEMP-UHFFFAOYSA-N
MW272.47 g/mol
LogP4.68
Rot. Bonds13

About 5-ethylpentadecane-6,7-diol

5-ethylpentadecane-6,7-diol (PubChem CID 123906465) has the molecular formula C17H36O2 and a molecular weight of 272.47 g/mol. Its IUPAC name is 5-ethylpentadecane-6,7-diol.

Molecular Properties

Compound Name5-ethylpentadecane-6,7-diol
PubChem CID123906465
Molecular FormulaC17H36O2
Molecular Weight272.47 g/mol
Exact Mass272.27
IUPAC Name5-ethylpentadecane-6,7-diol
SMILESCCCCCCCCC(O)C(O)C(CC)CCCC
InChIInChI=1S/C17H36O2/c1-4-7-9-10-11-12-14-16(18)17(19)15(6-3)13-8-5-2/h15-19H,4-14H2,1-3H3
InChIKeyBFEFZCMNOJAEMP-UHFFFAOYSA-N
XLogP4.68
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.47
LogP ≤ 54.68
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

5-ethyltetradecane-6,7-diol
CID 22726226
7-ethylpentadecan-8-ol
CID 91407819
6-ethyloctadecan-7-ol
CID 22321194
5,7-diethylundecan-6-ol
CID 89253066
5-butylundecan-6-ol
CID 89253058
5,6-diethyldodecane
CID 90761715
4-ethylnonadecane-1,3-diol
CID 57082750
4-ethylnonan-3-ol
CID 135150430
2-ethyltetradecane-1,1-diol
CID 123855382
5-butyl-6-ethyldodecane
CID 529932
4-pentyldodecane-1,2,3-triol
CID 175047891
9,10-diethyloctadecane
CID 530164

Frequently Asked Questions

What is the IUPAC name of 5-ethylpentadecane-6,7-diol?
The IUPAC name of 5-ethylpentadecane-6,7-diol (CID 123906465) is 5-ethylpentadecane-6,7-diol.
What is the SMILES notation for 5-ethylpentadecane-6,7-diol?
The canonical SMILES for 5-ethylpentadecane-6,7-diol is CCCCCCCCC(O)C(O)C(CC)CCCC.
What is the InChIKey of 5-ethylpentadecane-6,7-diol?
The InChIKey is BFEFZCMNOJAEMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36O2/c1-4-7-9-10-11-12-14-16(18)17(19)15(6-3)13-8-5-2/h15-19H,4-14H2,1-3H3.
What are the key properties of 5-ethylpentadecane-6,7-diol?
5-ethylpentadecane-6,7-diol has a molecular weight of 272.47 g/mol, XLogP of 4.68, 13 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylpentadecane-6,7-diol is sourced from PubChem (CID 123906465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).