4-ethyl-2,7-dimethylnonane-1,9-diol

C13H28O2 — CID 91142814

IUPAC4-ethyl-2,7-dimethylnonane-1,9-diol
SMILESCCC(CCC(C)CCO)CC(C)CO
InChIInChI=1S/C13H28O2/c1-4-13(9-12(3)10-15)6-5-11(2)7-8-14/h11-15H,4-10H2,1-3H3
InChIKeyHWLRIZWFXFOMIW-UHFFFAOYSA-N
MW216.36 g/mol
LogP2.83
Rot. Bonds9

About 4-ethyl-2,7-dimethylnonane-1,9-diol

4-ethyl-2,7-dimethylnonane-1,9-diol (PubChem CID 91142814) has the molecular formula C13H28O2 and a molecular weight of 216.36 g/mol. Its IUPAC name is 4-ethyl-2,7-dimethylnonane-1,9-diol.

Molecular Properties

Compound Name4-ethyl-2,7-dimethylnonane-1,9-diol
PubChem CID91142814
Molecular FormulaC13H28O2
Molecular Weight216.36 g/mol
Exact Mass216.21
IUPAC Name4-ethyl-2,7-dimethylnonane-1,9-diol
SMILESCCC(CCC(C)CCO)CC(C)CO
InChIInChI=1S/C13H28O2/c1-4-13(9-12(3)10-15)6-5-11(2)7-8-14/h11-15H,4-10H2,1-3H3
InChIKeyHWLRIZWFXFOMIW-UHFFFAOYSA-N
XLogP2.83
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 ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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5-ethyl-7-methylnonane-1,2-diol
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3,6-diethylnonane-1,9-diol
CID 19787583
2-ethyl-4-methylnonan-1-ol
CID 21358744
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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2,7-dimethylnonane-1,9-diol?
The IUPAC name of 4-ethyl-2,7-dimethylnonane-1,9-diol (CID 91142814) is 4-ethyl-2,7-dimethylnonane-1,9-diol.
What is the SMILES notation for 4-ethyl-2,7-dimethylnonane-1,9-diol?
The canonical SMILES for 4-ethyl-2,7-dimethylnonane-1,9-diol is CCC(CCC(C)CCO)CC(C)CO.
What is the InChIKey of 4-ethyl-2,7-dimethylnonane-1,9-diol?
The InChIKey is HWLRIZWFXFOMIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O2/c1-4-13(9-12(3)10-15)6-5-11(2)7-8-14/h11-15H,4-10H2,1-3H3.
What are the key properties of 4-ethyl-2,7-dimethylnonane-1,9-diol?
4-ethyl-2,7-dimethylnonane-1,9-diol has a molecular weight of 216.36 g/mol, XLogP of 2.83, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2,7-dimethylnonane-1,9-diol is sourced from PubChem (CID 91142814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).