5-methyloctan-3-ol

C9H20O — CID 19931017

IUPAC5-methyloctan-3-ol
SMILESCCCC(C)CC(O)CC
InChIInChI=1S/C9H20O/c1-4-6-8(3)7-9(10)5-2/h8-10H,4-7H2,1-3H3
InChIKeyNBUAJOLSZMKRIT-UHFFFAOYSA-N
MW144.26 g/mol
LogP2.58
Rot. Bonds5

About 5-methyloctan-3-ol

5-methyloctan-3-ol (PubChem CID 19931017) has the molecular formula C9H20O and a molecular weight of 144.26 g/mol. Its IUPAC name is 5-methyloctan-3-ol.

Molecular Properties

Compound Name5-methyloctan-3-ol
PubChem CID19931017
Molecular FormulaC9H20O
Molecular Weight144.26 g/mol
Exact Mass144.15
IUPAC Name5-methyloctan-3-ol
SMILESCCCC(C)CC(O)CC
InChIInChI=1S/C9H20O/c1-4-6-8(3)7-9(10)5-2/h8-10H,4-7H2,1-3H3
InChIKeyNBUAJOLSZMKRIT-UHFFFAOYSA-N
XLogP2.58
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.26
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,1,1-trifluoro-5-methyloctan-3-ol
CID 62607846
5,9-dimethyldecan-3-ol
CID 545842
3,6-dimethylnonan-4-ol
CID 56626033
octane-3,5-diol;scandium
CID 164810284
4-methyl-1-propylsulfanylheptan-2-ol
CID 65130129
(3S,5R)-5-methylnon-8-en-3-ol
CID 129386423
2,2,4,8-tetramethylundecan-6-ol
CID 115789018
hexan-3-ol
CID 12178
8-(dimethylamino)-5-methyloctan-3-ol
CID 89245449
1-ethoxy-5-methyloctan-3-ol
CID 105089791
(3R,5R)-heptane-3,5-diol
CID 12641368
3,5,7,9,11,13,15-heptamethyloctadecane
CID 20645188

Frequently Asked Questions

What is the IUPAC name of 5-methyloctan-3-ol?
The IUPAC name of 5-methyloctan-3-ol (CID 19931017) is 5-methyloctan-3-ol.
What is the SMILES notation for 5-methyloctan-3-ol?
The canonical SMILES for 5-methyloctan-3-ol is CCCC(C)CC(O)CC.
What is the InChIKey of 5-methyloctan-3-ol?
The InChIKey is NBUAJOLSZMKRIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O/c1-4-6-8(3)7-9(10)5-2/h8-10H,4-7H2,1-3H3.
What are the key properties of 5-methyloctan-3-ol?
5-methyloctan-3-ol has a molecular weight of 144.26 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyloctan-3-ol is sourced from PubChem (CID 19931017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).