3-ethyl-3-methyloctane-2,4-diol

C11H24O2 — CID 57198922

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

About 3-ethyl-3-methyloctane-2,4-diol

3-ethyl-3-methyloctane-2,4-diol (PubChem CID 57198922) has the molecular formula C11H24O2 and a molecular weight of 188.31 g/mol. Its IUPAC name is 3-ethyl-3-methyloctane-2,4-diol.

Molecular Properties

Compound Name3-ethyl-3-methyloctane-2,4-diol
PubChem CID57198922
Molecular FormulaC11H24O2
Molecular Weight188.31 g/mol
Exact Mass188.18
IUPAC Name3-ethyl-3-methyloctane-2,4-diol
SMILESCCCCC(O)C(C)(CC)C(C)O
InChIInChI=1S/C11H24O2/c1-5-7-8-10(13)11(4,6-2)9(3)12/h9-10,12-13H,5-8H2,1-4H3
InChIKeyHBGKCODYNXXRSW-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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Related Compounds

2,2-dimethylheptane-1,3-diol
CID 57266054
3-ethyl-2,3,4-trimethyloctane
CID 57491124
(3R)-3-methyl-3-propan-2-ylheptan-2-ol
CID 126716836
3-methyldodecane-3,4-diol
CID 103448703
(2R,3R)-3-butan-2-yl-3-methylheptan-2-ol
CID 126694486
3-ethyl-3,5-dimethylnonan-4-ol
CID 156689817
boric acid;2,2-dimethylheptane-1,3-diol
CID 159719019
3,4-dimethylnonane-3,5-diol
CID 57165420
2-methyl-2-methylsulfonylheptan-3-ol
CID 115783263
3-(aminomethyl)-3-methylnonan-4-ol
CID 79137941
3-hydroxy-2,2-dimethylheptanamide
CID 91302287
3,3-diethyldecan-4-ol
CID 150278197

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-methyloctane-2,4-diol?
The IUPAC name of 3-ethyl-3-methyloctane-2,4-diol (CID 57198922) is 3-ethyl-3-methyloctane-2,4-diol.
What is the SMILES notation for 3-ethyl-3-methyloctane-2,4-diol?
The canonical SMILES for 3-ethyl-3-methyloctane-2,4-diol is CCCCC(O)C(C)(CC)C(C)O.
What is the InChIKey of 3-ethyl-3-methyloctane-2,4-diol?
The InChIKey is HBGKCODYNXXRSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O2/c1-5-7-8-10(13)11(4,6-2)9(3)12/h9-10,12-13H,5-8H2,1-4H3.
What are the key properties of 3-ethyl-3-methyloctane-2,4-diol?
3-ethyl-3-methyloctane-2,4-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-ethyl-3-methyloctane-2,4-diol is sourced from PubChem (CID 57198922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).