3-ethyl-2,3-dimethylpentan-2-ol

C9H20O — CID 53428948

IUPAC3-ethyl-2,3-dimethylpentan-2-ol
SMILESCCC(C)(CC)C(C)(C)O
InChIInChI=1S/C9H20O/c1-6-9(5,7-2)8(3,4)10/h10H,6-7H2,1-5H3
InChIKeyAVQHNUMJCWRCBA-UHFFFAOYSA-N
MW144.26 g/mol
LogP2.58
Rot. Bonds3

About 3-ethyl-2,3-dimethylpentan-2-ol

3-ethyl-2,3-dimethylpentan-2-ol (PubChem CID 53428948) has the molecular formula C9H20O and a molecular weight of 144.26 g/mol. Its IUPAC name is 3-ethyl-2,3-dimethylpentan-2-ol.

Molecular Properties

Compound Name3-ethyl-2,3-dimethylpentan-2-ol
PubChem CID53428948
Molecular FormulaC9H20O
Molecular Weight144.26 g/mol
Exact Mass144.15
IUPAC Name3-ethyl-2,3-dimethylpentan-2-ol
SMILESCCC(C)(CC)C(C)(C)O
InChIInChI=1S/C9H20O/c1-6-9(5,7-2)8(3,4)10/h10H,6-7H2,1-5H3
InChIKeyAVQHNUMJCWRCBA-UHFFFAOYSA-N
XLogP2.58
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.26
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3R)-2,3-dimethylpentane-2,3-diol
CID 118219388
3-ethyl-3-(2-hydroxypropan-2-yl)-2,4-dimethylpentane-2,4-diol
CID 87908652
2-arsanylbutan-2-ol
CID 173005032
methanamine;2-methylbutan-2-ol
CID 142079467
sodium;hydride;bis(2-methylbutan-2-ol)
CID 174951100
azane;3-methylpentan-3-ol
CID 87107560
(2S)-2-iodobutan-2-ol
CID 126611697
2-chloro-2-methylbutane;methanol
CID 88619841
hafnium;3-methylpentan-3-ol
CID 154175223
2-aminobutan-2-ol;propane
CID 174346487
butane;propane-2,2-diol
CID 142587058
3-ethyl-2,4-dimethylpentane-2,3-diol
CID 23384901

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2,3-dimethylpentan-2-ol?
The IUPAC name of 3-ethyl-2,3-dimethylpentan-2-ol (CID 53428948) is 3-ethyl-2,3-dimethylpentan-2-ol.
What is the SMILES notation for 3-ethyl-2,3-dimethylpentan-2-ol?
The canonical SMILES for 3-ethyl-2,3-dimethylpentan-2-ol is CCC(C)(CC)C(C)(C)O.
What is the InChIKey of 3-ethyl-2,3-dimethylpentan-2-ol?
The InChIKey is AVQHNUMJCWRCBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O/c1-6-9(5,7-2)8(3,4)10/h10H,6-7H2,1-5H3.
What are the key properties of 3-ethyl-2,3-dimethylpentan-2-ol?
3-ethyl-2,3-dimethylpentan-2-ol has a molecular weight of 144.26 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2,3-dimethylpentan-2-ol is sourced from PubChem (CID 53428948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).