3-ethyl-4,4-dimethylpentan-2-ol

C9H20O — CID 53249420

IUPAC3-ethyl-4,4-dimethylpentan-2-ol
SMILESCCC(C(C)O)C(C)(C)C
InChIInChI=1S/C9H20O/c1-6-8(7(2)10)9(3,4)5/h7-8,10H,6H2,1-5H3
InChIKeyYGQDLQQRBCOMKJ-UHFFFAOYSA-N
MW144.26 g/mol
LogP2.44
Rot. Bonds2

About 3-ethyl-4,4-dimethylpentan-2-ol

3-ethyl-4,4-dimethylpentan-2-ol (PubChem CID 53249420) has the molecular formula C9H20O and a molecular weight of 144.26 g/mol. Its IUPAC name is 3-ethyl-4,4-dimethylpentan-2-ol.

Molecular Properties

Compound Name3-ethyl-4,4-dimethylpentan-2-ol
PubChem CID53249420
Molecular FormulaC9H20O
Molecular Weight144.26 g/mol
Exact Mass144.15
IUPAC Name3-ethyl-4,4-dimethylpentan-2-ol
SMILESCCC(C(C)O)C(C)(C)C
InChIInChI=1S/C9H20O/c1-6-8(7(2)10)9(3,4)5/h7-8,10H,6H2,1-5H3
InChIKeyYGQDLQQRBCOMKJ-UHFFFAOYSA-N
XLogP2.44
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.26
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4,4-dimethylpentan-2-ol?
The IUPAC name of 3-ethyl-4,4-dimethylpentan-2-ol (CID 53249420) is 3-ethyl-4,4-dimethylpentan-2-ol.
What is the SMILES notation for 3-ethyl-4,4-dimethylpentan-2-ol?
The canonical SMILES for 3-ethyl-4,4-dimethylpentan-2-ol is CCC(C(C)O)C(C)(C)C.
What is the InChIKey of 3-ethyl-4,4-dimethylpentan-2-ol?
The InChIKey is YGQDLQQRBCOMKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O/c1-6-8(7(2)10)9(3,4)5/h7-8,10H,6H2,1-5H3.
What are the key properties of 3-ethyl-4,4-dimethylpentan-2-ol?
3-ethyl-4,4-dimethylpentan-2-ol has a molecular weight of 144.26 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4,4-dimethylpentan-2-ol is sourced from PubChem (CID 53249420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).