(5S)-5-methyloctan-1-ol

C9H20O — CID 14902476

IUPAC(5S)-5-methyloctan-1-ol
SMILESCCC[C@H](C)CCCCO
InChIInChI=1S/C9H20O/c1-3-6-9(2)7-4-5-8-10/h9-10H,3-8H2,1-2H3/t9-/m0/s1
InChIKeyCGCDFYUPZXVGIX-VIFPVBQESA-N
MW144.26 g/mol
LogP2.59
Rot. Bonds6

About (5S)-5-methyloctan-1-ol

(5S)-5-methyloctan-1-ol (PubChem CID 14902476) has the molecular formula C9H20O and a molecular weight of 144.26 g/mol. Its IUPAC name is (5S)-5-methyloctan-1-ol.

Molecular Properties

Compound Name(5S)-5-methyloctan-1-ol
PubChem CID14902476
Molecular FormulaC9H20O
Molecular Weight144.26 g/mol
Exact Mass144.15
IUPAC Name(5S)-5-methyloctan-1-ol
SMILESCCC[C@H](C)CCCCO
InChIInChI=1S/C9H20O/c1-3-6-9(2)7-4-5-8-10/h9-10H,3-8H2,1-2H3/t9-/m0/s1
InChIKeyCGCDFYUPZXVGIX-VIFPVBQESA-N
XLogP2.59
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.26
LogP ≤ 52.59
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

6-methylnonane-1,1-diol;6-methylnonan-1-ol
CID 90947369
10-methylhexadecan-1-ol
CID 10244159
7-methylpentadecan-1-ol
CID 18427312
6-methylhexadecan-1-ol
CID 22027437
9-methylhexadecan-1-ol
CID 22027455
(6S)-6-methyloctadecan-1-ol
CID 162994676
acetic acid;9-methyldodecan-1-ol
CID 71407240
8,12-dimethylicosane-1,20-diol
CID 170848864
14-methyl-4,10-dipropylheptadecan-1-ol
CID 118203440
3-methyldecane-1,10-diol
CID 22596513
4,6,8,10-tetramethyltridecan-1-ol
CID 172545129
14-methylhexadecan-1-ol
CID 5283264

Frequently Asked Questions

What is the IUPAC name of (5S)-5-methyloctan-1-ol?
The IUPAC name of (5S)-5-methyloctan-1-ol (CID 14902476) is (5S)-5-methyloctan-1-ol.
What is the SMILES notation for (5S)-5-methyloctan-1-ol?
The canonical SMILES for (5S)-5-methyloctan-1-ol is CCC[C@H](C)CCCCO.
What is the InChIKey of (5S)-5-methyloctan-1-ol?
The InChIKey is CGCDFYUPZXVGIX-VIFPVBQESA-N. The full InChI is InChI=1S/C9H20O/c1-3-6-9(2)7-4-5-8-10/h9-10H,3-8H2,1-2H3/t9-/m0/s1.
What are the key properties of (5S)-5-methyloctan-1-ol?
(5S)-5-methyloctan-1-ol has a molecular weight of 144.26 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-methyloctan-1-ol is sourced from PubChem (CID 14902476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).