6-ethyldecane-4,5-diol

C12H26O2 — CID 549928

IUPAC6-ethyldecane-4,5-diol
SMILESCCCCC(CC)C(O)C(O)CCC
InChIInChI=1S/C12H26O2/c1-4-7-9-10(6-3)12(14)11(13)8-5-2/h10-14H,4-9H2,1-3H3
InChIKeyLGHUTFXTRKTVHR-UHFFFAOYSA-N
MW202.34 g/mol
LogP2.72
Rot. Bonds8

About 6-ethyldecane-4,5-diol

6-ethyldecane-4,5-diol (PubChem CID 549928) has the molecular formula C12H26O2 and a molecular weight of 202.34 g/mol. Its IUPAC name is 6-ethyldecane-4,5-diol.

Molecular Properties

Compound Name6-ethyldecane-4,5-diol
PubChem CID549928
Molecular FormulaC12H26O2
Molecular Weight202.34 g/mol
Exact Mass202.19
IUPAC Name6-ethyldecane-4,5-diol
SMILESCCCCC(CC)C(O)C(O)CCC
InChIInChI=1S/C12H26O2/c1-4-7-9-10(6-3)12(14)11(13)8-5-2/h10-14H,4-9H2,1-3H3
InChIKeyLGHUTFXTRKTVHR-UHFFFAOYSA-N
XLogP2.72
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-ethyldecane-4,5-diol?
The IUPAC name of 6-ethyldecane-4,5-diol (CID 549928) is 6-ethyldecane-4,5-diol.
What is the SMILES notation for 6-ethyldecane-4,5-diol?
The canonical SMILES for 6-ethyldecane-4,5-diol is CCCCC(CC)C(O)C(O)CCC.
What is the InChIKey of 6-ethyldecane-4,5-diol?
The InChIKey is LGHUTFXTRKTVHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O2/c1-4-7-9-10(6-3)12(14)11(13)8-5-2/h10-14H,4-9H2,1-3H3.
What are the key properties of 6-ethyldecane-4,5-diol?
6-ethyldecane-4,5-diol has a molecular weight of 202.34 g/mol, XLogP of 2.72, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyldecane-4,5-diol is sourced from PubChem (CID 549928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).