(7S)-7-methylnonan-1-ol

C10H22O — CID 11105641

IUPAC(7S)-7-methylnonan-1-ol
SMILESCC[C@H](C)CCCCCCO
InChIInChI=1S/C10H22O/c1-3-10(2)8-6-4-5-7-9-11/h10-11H,3-9H2,1-2H3/t10-/m0/s1
InChIKeyBJKXZCGJAOWNTN-JTQLQIEISA-N
MW158.28 g/mol
LogP2.98
Rot. Bonds7

About (7S)-7-methylnonan-1-ol

(7S)-7-methylnonan-1-ol (PubChem CID 11105641) has the molecular formula C10H22O and a molecular weight of 158.28 g/mol. Its IUPAC name is (7S)-7-methylnonan-1-ol.

Molecular Properties

Compound Name(7S)-7-methylnonan-1-ol
PubChem CID11105641
Molecular FormulaC10H22O
Molecular Weight158.28 g/mol
Exact Mass158.17
IUPAC Name(7S)-7-methylnonan-1-ol
SMILESCC[C@H](C)CCCCCCO
InChIInChI=1S/C10H22O/c1-3-10(2)8-6-4-5-7-9-11/h10-11H,3-9H2,1-2H3/t10-/m0/s1
InChIKeyBJKXZCGJAOWNTN-JTQLQIEISA-N
XLogP2.98
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.28
LogP ≤ 52.98
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

(11S)-11-methyltridecan-1-ol
CID 71389600
(10S)-10-methyldodecan-1-ol
CID 11715372
14-methylhexadecan-1-ol
CID 5283264
acetic acid;9-methylundecan-1-ol
CID 71407241
(4R,8S)-4,8-dimethyldecan-1-ol
CID 121007505
4,7-dimethylnonan-1-ol
CID 87272409
8,12-dimethylicosane-1,20-diol
CID 170848864
3-(14-methylhexadecoxy)propan-1-ol
CID 59379115
7-methylpentadecan-1-ol
CID 18427312
10-methylhexadecan-1-ol
CID 10244159
6-methylhexadecan-1-ol
CID 22027437
(6S)-6-methyloctadecan-1-ol
CID 162994676

Frequently Asked Questions

What is the IUPAC name of (7S)-7-methylnonan-1-ol?
The IUPAC name of (7S)-7-methylnonan-1-ol (CID 11105641) is (7S)-7-methylnonan-1-ol.
What is the SMILES notation for (7S)-7-methylnonan-1-ol?
The canonical SMILES for (7S)-7-methylnonan-1-ol is CC[C@H](C)CCCCCCO.
What is the InChIKey of (7S)-7-methylnonan-1-ol?
The InChIKey is BJKXZCGJAOWNTN-JTQLQIEISA-N. The full InChI is InChI=1S/C10H22O/c1-3-10(2)8-6-4-5-7-9-11/h10-11H,3-9H2,1-2H3/t10-/m0/s1.
What are the key properties of (7S)-7-methylnonan-1-ol?
(7S)-7-methylnonan-1-ol has a molecular weight of 158.28 g/mol, XLogP of 2.98, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-7-methylnonan-1-ol is sourced from PubChem (CID 11105641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).