(4S)-2-methylnonan-4-ol

C10H22O — CID 86308805

IUPAC(4S)-2-methylnonan-4-ol
SMILESCCCCC[C@H](O)CC(C)C
InChIInChI=1S/C10H22O/c1-4-5-6-7-10(11)8-9(2)3/h9-11H,4-8H2,1-3H3/t10-/m0/s1
InChIKeyIBHHTADZYDLHPM-JTQLQIEISA-N
MW158.28 g/mol
LogP2.97
Rot. Bonds6

About (4S)-2-methylnonan-4-ol

(4S)-2-methylnonan-4-ol (PubChem CID 86308805) has the molecular formula C10H22O and a molecular weight of 158.28 g/mol. Its IUPAC name is (4S)-2-methylnonan-4-ol.

Molecular Properties

Compound Name(4S)-2-methylnonan-4-ol
PubChem CID86308805
Molecular FormulaC10H22O
Molecular Weight158.28 g/mol
Exact Mass158.17
IUPAC Name(4S)-2-methylnonan-4-ol
SMILESCCCCC[C@H](O)CC(C)C
InChIInChI=1S/C10H22O/c1-4-5-6-7-10(11)8-9(2)3/h9-11H,4-8H2,1-3H3/t10-/m0/s1
InChIKeyIBHHTADZYDLHPM-JTQLQIEISA-N
XLogP2.97
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.28
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(5S,7R)-dodecane-5,7-diol
CID 12060471
hentriacontane-14,16-diol
CID 87514654
triacontane-6,8-diol
CID 85096450
(7S,9R)-tetratriacontane-7,9-diol
CID 165357894
(6S,8S)-heptacosane-6,8-diol
CID 10693038
7-ethyl-2-methyldodecan-4-ol
CID 171564250
(2R,4R)-decane-2,4-diol
CID 16752205
3-methyltridecan-5-ol
CID 13025106
2,13-dimethylpentadecan-4-ol
CID 176880167
(3S,5S)-2-methylundecane-3,5-diol
CID 14784007
1-[2-(2-butoxyethoxy)ethoxy]-6-methylheptan-4-ol
CID 104565835
icosan-6-ol
CID 19931277

Frequently Asked Questions

What is the IUPAC name of (4S)-2-methylnonan-4-ol?
The IUPAC name of (4S)-2-methylnonan-4-ol (CID 86308805) is (4S)-2-methylnonan-4-ol.
What is the SMILES notation for (4S)-2-methylnonan-4-ol?
The canonical SMILES for (4S)-2-methylnonan-4-ol is CCCCC[C@H](O)CC(C)C.
What is the InChIKey of (4S)-2-methylnonan-4-ol?
The InChIKey is IBHHTADZYDLHPM-JTQLQIEISA-N. The full InChI is InChI=1S/C10H22O/c1-4-5-6-7-10(11)8-9(2)3/h9-11H,4-8H2,1-3H3/t10-/m0/s1.
What are the key properties of (4S)-2-methylnonan-4-ol?
(4S)-2-methylnonan-4-ol has a molecular weight of 158.28 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-methylnonan-4-ol is sourced from PubChem (CID 86308805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).