3-methyl-3-propyloctan-2-ol

C12H26O — CID 20501793

IUPAC3-methyl-3-propyloctan-2-ol
SMILESCCCCCC(C)(CCC)C(C)O
InChIInChI=1S/C12H26O/c1-5-7-8-10-12(4,9-6-2)11(3)13/h11,13H,5-10H2,1-4H3
InChIKeyPJJKBHOFHKTUNU-UHFFFAOYSA-N
MW186.34 g/mol
LogP3.75
Rot. Bonds7

About 3-methyl-3-propyloctan-2-ol

3-methyl-3-propyloctan-2-ol (PubChem CID 20501793) has the molecular formula C12H26O and a molecular weight of 186.34 g/mol. Its IUPAC name is 3-methyl-3-propyloctan-2-ol.

Molecular Properties

Compound Name3-methyl-3-propyloctan-2-ol
PubChem CID20501793
Molecular FormulaC12H26O
Molecular Weight186.34 g/mol
Exact Mass186.20
IUPAC Name3-methyl-3-propyloctan-2-ol
SMILESCCCCCC(C)(CCC)C(C)O
InChIInChI=1S/C12H26O/c1-5-7-8-10-12(4,9-6-2)11(3)13/h11,13H,5-10H2,1-4H3
InChIKeyPJJKBHOFHKTUNU-UHFFFAOYSA-N
XLogP3.75
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.34
LogP ≤ 53.75
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

3-methyl-3-propylhexan-2-ol
CID 20501676
6-methyl-6-propan-2-ylundecane
CID 87930599
3,3-dimethylnonan-2-ol
CID 19931299
3,5-dimethyl-3-propylhexan-2-ol
CID 20501854
3,3-dimethyldecan-2-ol
CID 87975868
2-methyl-2-pentylpropane-1,1,3-triol
CID 19814201
3,3-dihexylpentane-2,4-diol
CID 21414890
3-chloro-3-methylpentadecan-2-ol
CID 87770465
3-ethyl-2,3-dimethyldecane
CID 57491701
3-ethyl-2,3-dimethylnonane
CID 57490996
3-decyltridecane-2,3-diol
CID 175905550
4,6-diethyl-N,4,6-trimethyldodecan-5-amine
CID 91364063

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-propyloctan-2-ol?
The IUPAC name of 3-methyl-3-propyloctan-2-ol (CID 20501793) is 3-methyl-3-propyloctan-2-ol.
What is the SMILES notation for 3-methyl-3-propyloctan-2-ol?
The canonical SMILES for 3-methyl-3-propyloctan-2-ol is CCCCCC(C)(CCC)C(C)O.
What is the InChIKey of 3-methyl-3-propyloctan-2-ol?
The InChIKey is PJJKBHOFHKTUNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O/c1-5-7-8-10-12(4,9-6-2)11(3)13/h11,13H,5-10H2,1-4H3.
What are the key properties of 3-methyl-3-propyloctan-2-ol?
3-methyl-3-propyloctan-2-ol has a molecular weight of 186.34 g/mol, XLogP of 3.75, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-propyloctan-2-ol is sourced from PubChem (CID 20501793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).