(4S)-3-ethyl-2-methylheptan-4-ol

C10H22O — CID 59039449

IUPAC(4S)-3-ethyl-2-methylheptan-4-ol
SMILESCCC[C@H](O)C(CC)C(C)C
InChIInChI=1S/C10H22O/c1-5-7-10(11)9(6-2)8(3)4/h8-11H,5-7H2,1-4H3/t9?,10-/m0/s1
InChIKeyLQQOUZSDJLMLRI-AXDSSHIGSA-N
MW158.28 g/mol
LogP2.83
Rot. Bonds5

About (4S)-3-ethyl-2-methylheptan-4-ol

(4S)-3-ethyl-2-methylheptan-4-ol (PubChem CID 59039449) has the molecular formula C10H22O and a molecular weight of 158.28 g/mol. Its IUPAC name is (4S)-3-ethyl-2-methylheptan-4-ol.

Molecular Properties

Compound Name(4S)-3-ethyl-2-methylheptan-4-ol
PubChem CID59039449
Molecular FormulaC10H22O
Molecular Weight158.28 g/mol
Exact Mass158.17
IUPAC Name(4S)-3-ethyl-2-methylheptan-4-ol
SMILESCCC[C@H](O)C(CC)C(C)C
InChIInChI=1S/C10H22O/c1-5-7-10(11)9(6-2)8(3)4/h8-11H,5-7H2,1-4H3/t9?,10-/m0/s1
InChIKeyLQQOUZSDJLMLRI-AXDSSHIGSA-N
XLogP2.83
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.28
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-ethyl-2-methylheptan-4-ol
CID 23384905
5-propan-2-yloctan-4-ol
CID 23385171
(4S,5R)-5-propan-2-yloctan-4-ol
CID 59911289
2-amino-3-ethylheptan-4-ol
CID 146264910
(3S)-4-propan-2-ylheptan-3-ol
CID 59039542
(2S,3S)-3-ethyl-4-methylpentane-1,2-diol
CID 15101929
hexane-2,3-diol
CID 159913798
6,7-diethyldodecane-5,8-diol
CID 166728697
3-ethyl-2,4-dimethylpentane;methane;2-methylpentane
CID 158735959
octane-4,5-diol;hydrate
CID 141056272
4-ethyl-2,5-dimethylhexan-3-ol
CID 79298861
(4S,5S)-5-ethyl-6-methylhept-1-en-4-ol
CID 59076573

Frequently Asked Questions

What is the IUPAC name of (4S)-3-ethyl-2-methylheptan-4-ol?
The IUPAC name of (4S)-3-ethyl-2-methylheptan-4-ol (CID 59039449) is (4S)-3-ethyl-2-methylheptan-4-ol.
What is the SMILES notation for (4S)-3-ethyl-2-methylheptan-4-ol?
The canonical SMILES for (4S)-3-ethyl-2-methylheptan-4-ol is CCC[C@H](O)C(CC)C(C)C.
What is the InChIKey of (4S)-3-ethyl-2-methylheptan-4-ol?
The InChIKey is LQQOUZSDJLMLRI-AXDSSHIGSA-N. The full InChI is InChI=1S/C10H22O/c1-5-7-10(11)9(6-2)8(3)4/h8-11H,5-7H2,1-4H3/t9?,10-/m0/s1.
What are the key properties of (4S)-3-ethyl-2-methylheptan-4-ol?
(4S)-3-ethyl-2-methylheptan-4-ol has a molecular weight of 158.28 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-ethyl-2-methylheptan-4-ol is sourced from PubChem (CID 59039449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).