3,5-diethylheptane-2,5-diol

C11H24O2 — CID 114496696

IUPAC3,5-diethylheptane-2,5-diol
SMILESCCC(CC(O)(CC)CC)C(C)O
InChIInChI=1S/C11H24O2/c1-5-10(9(4)12)8-11(13,6-2)7-3/h9-10,12-13H,5-8H2,1-4H3
InChIKeySLPBLAULKSLJBM-UHFFFAOYSA-N
MW188.31 g/mol
LogP2.33
Rot. Bonds6

About 3,5-diethylheptane-2,5-diol

3,5-diethylheptane-2,5-diol (PubChem CID 114496696) has the molecular formula C11H24O2 and a molecular weight of 188.31 g/mol. Its IUPAC name is 3,5-diethylheptane-2,5-diol.

Molecular Properties

Compound Name3,5-diethylheptane-2,5-diol
PubChem CID114496696
Molecular FormulaC11H24O2
Molecular Weight188.31 g/mol
Exact Mass188.18
IUPAC Name3,5-diethylheptane-2,5-diol
SMILESCCC(CC(O)(CC)CC)C(C)O
InChIInChI=1S/C11H24O2/c1-5-10(9(4)12)8-11(13,6-2)7-3/h9-10,12-13H,5-8H2,1-4H3
InChIKeySLPBLAULKSLJBM-UHFFFAOYSA-N
XLogP2.33
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5-diethylheptane-2,5-diol?
The IUPAC name of 3,5-diethylheptane-2,5-diol (CID 114496696) is 3,5-diethylheptane-2,5-diol.
What is the SMILES notation for 3,5-diethylheptane-2,5-diol?
The canonical SMILES for 3,5-diethylheptane-2,5-diol is CCC(CC(O)(CC)CC)C(C)O.
What is the InChIKey of 3,5-diethylheptane-2,5-diol?
The InChIKey is SLPBLAULKSLJBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O2/c1-5-10(9(4)12)8-11(13,6-2)7-3/h9-10,12-13H,5-8H2,1-4H3.
What are the key properties of 3,5-diethylheptane-2,5-diol?
3,5-diethylheptane-2,5-diol has a molecular weight of 188.31 g/mol, XLogP of 2.33, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diethylheptane-2,5-diol is sourced from PubChem (CID 114496696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).