4-ethyl-2,5-dimethylhexan-3-ol

C10H22O — CID 79298861

IUPAC4-ethyl-2,5-dimethylhexan-3-ol
SMILESCCC(C(C)C)C(O)C(C)C
InChIInChI=1S/C10H22O/c1-6-9(7(2)3)10(11)8(4)5/h7-11H,6H2,1-5H3
InChIKeyACLHDGFQOQVYML-UHFFFAOYSA-N
MW158.28 g/mol
LogP2.69
Rot. Bonds4

About 4-ethyl-2,5-dimethylhexan-3-ol

4-ethyl-2,5-dimethylhexan-3-ol (PubChem CID 79298861) has the molecular formula C10H22O and a molecular weight of 158.28 g/mol. Its IUPAC name is 4-ethyl-2,5-dimethylhexan-3-ol.

Molecular Properties

Compound Name4-ethyl-2,5-dimethylhexan-3-ol
PubChem CID79298861
Molecular FormulaC10H22O
Molecular Weight158.28 g/mol
Exact Mass158.17
IUPAC Name4-ethyl-2,5-dimethylhexan-3-ol
SMILESCCC(C(C)C)C(O)C(C)C
InChIInChI=1S/C10H22O/c1-6-9(7(2)3)10(11)8(4)5/h7-11H,6H2,1-5H3
InChIKeyACLHDGFQOQVYML-UHFFFAOYSA-N
XLogP2.69
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.28
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S,3S)-3-ethyl-4-methylpentane-1,2-diol
CID 15101929
3-ethyl-2-methylheptan-4-ol
CID 23384905
(4S)-3-ethyl-2-methylheptan-4-ol
CID 59039449
(4S)-3-ethyl-2,4-dimethylhexane
CID 59911226
3,6-diethyl-2,7-dimethyl-4,5-di(propan-2-yl)octane
CID 140704954
3-ethyl-2,4-dimethylpentane;2,3,4-trimethylpentane
CID 158873092
2-ethyl-4-propan-2-ylpentane-1,3,5-triol
CID 118683289
2-propan-2-ylheptane-1,3,4,5-tetrol
CID 118683322
(2S)-2-propan-2-ylpentane-1,3-diol
CID 59911349
(4S,5S)-5-ethyl-6-methylhept-1-en-4-ol
CID 59076573
(3S,4S,5R,6S,7S)-2,4,6-trimethylnonane-3,5,7-triol
CID 101070481
4-methoxy-2-methylhexan-3-ol
CID 116710715

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2,5-dimethylhexan-3-ol?
The IUPAC name of 4-ethyl-2,5-dimethylhexan-3-ol (CID 79298861) is 4-ethyl-2,5-dimethylhexan-3-ol.
What is the SMILES notation for 4-ethyl-2,5-dimethylhexan-3-ol?
The canonical SMILES for 4-ethyl-2,5-dimethylhexan-3-ol is CCC(C(C)C)C(O)C(C)C.
What is the InChIKey of 4-ethyl-2,5-dimethylhexan-3-ol?
The InChIKey is ACLHDGFQOQVYML-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O/c1-6-9(7(2)3)10(11)8(4)5/h7-11H,6H2,1-5H3.
What are the key properties of 4-ethyl-2,5-dimethylhexan-3-ol?
4-ethyl-2,5-dimethylhexan-3-ol has a molecular weight of 158.28 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2,5-dimethylhexan-3-ol is sourced from PubChem (CID 79298861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).