2-methylnonan-2-ol

C10H22O — CID 25139

IUPAC2-methylnonan-2-ol
SMILESCCCCCCCC(C)(C)O
InChIInChI=1S/C10H22O/c1-4-5-6-7-8-9-10(2,3)11/h11H,4-9H2,1-3H3
InChIKeyVREDNSVJXRJXRI-UHFFFAOYSA-N
MW158.28 g/mol
LogP3.12
Rot. Bonds6

About 2-methylnonan-2-ol

2-methylnonan-2-ol (PubChem CID 25139) has the molecular formula C10H22O and a molecular weight of 158.28 g/mol. Its IUPAC name is 2-methylnonan-2-ol.

Molecular Properties

Compound Name2-methylnonan-2-ol
PubChem CID25139
Molecular FormulaC10H22O
Molecular Weight158.28 g/mol
Exact Mass158.17
IUPAC Name2-methylnonan-2-ol
SMILESCCCCCCCC(C)(C)O
InChIInChI=1S/C10H22O/c1-4-5-6-7-8-9-10(2,3)11/h11H,4-9H2,1-3H3
InChIKeyVREDNSVJXRJXRI-UHFFFAOYSA-N
XLogP3.12
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 ≤ 53.12
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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Frequently Asked Questions

What is the IUPAC name of 2-methylnonan-2-ol?
The IUPAC name of 2-methylnonan-2-ol (CID 25139) is 2-methylnonan-2-ol.
What is the SMILES notation for 2-methylnonan-2-ol?
The canonical SMILES for 2-methylnonan-2-ol is CCCCCCCC(C)(C)O.
What is the InChIKey of 2-methylnonan-2-ol?
The InChIKey is VREDNSVJXRJXRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O/c1-4-5-6-7-8-9-10(2,3)11/h11H,4-9H2,1-3H3.
What are the key properties of 2-methylnonan-2-ol?
2-methylnonan-2-ol has a molecular weight of 158.28 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylnonan-2-ol is sourced from PubChem (CID 25139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).