2,2-dimethylnonan-3-ol

C11H24O — CID 59016596

IUPAC2,2-dimethylnonan-3-ol
SMILESCCCCCCC(O)C(C)(C)C
InChIInChI=1S/C11H24O/c1-5-6-7-8-9-10(12)11(2,3)4/h10,12H,5-9H2,1-4H3
InChIKeyRQBGLGUNEJMISI-UHFFFAOYSA-N
MW172.31 g/mol
LogP3.36
Rot. Bonds5

About 2,2-dimethylnonan-3-ol

2,2-dimethylnonan-3-ol (PubChem CID 59016596) has the molecular formula C11H24O and a molecular weight of 172.31 g/mol. Its IUPAC name is 2,2-dimethylnonan-3-ol.

Molecular Properties

Compound Name2,2-dimethylnonan-3-ol
PubChem CID59016596
Molecular FormulaC11H24O
Molecular Weight172.31 g/mol
Exact Mass172.18
IUPAC Name2,2-dimethylnonan-3-ol
SMILESCCCCCCC(O)C(C)(C)C
InChIInChI=1S/C11H24O/c1-5-6-7-8-9-10(12)11(2,3)4/h10,12H,5-9H2,1-4H3
InChIKeyRQBGLGUNEJMISI-UHFFFAOYSA-N
XLogP3.36
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.31
LogP ≤ 53.36
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

2-Methyloctanol
CID 102495
Isotridecan-1-ol
CID 33865
2-tert-Butylcyclohexanol
CID 26068
Isodecanol
CID 32898
3-Octanol, 6-ethyl-
CID 140601
5-Ethyl-2-nonanol
CID 7634
Isononanol
CID 17072
7-Ethyl-2-methyl-4-undecanol
CID 97948
2-Methyloctan-3-ol
CID 98464
3,9-Diethyl-6-tridecanol
CID 225882
2-Methylundecanol
CID 66341
Cyclohexanol, 2-(1,1-dimethylethyl)-, (1R,2R)-rel-
CID 6995536

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylnonan-3-ol?
The IUPAC name of 2,2-dimethylnonan-3-ol (CID 59016596) is 2,2-dimethylnonan-3-ol.
What is the SMILES notation for 2,2-dimethylnonan-3-ol?
The canonical SMILES for 2,2-dimethylnonan-3-ol is CCCCCCC(O)C(C)(C)C.
What is the InChIKey of 2,2-dimethylnonan-3-ol?
The InChIKey is RQBGLGUNEJMISI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O/c1-5-6-7-8-9-10(12)11(2,3)4/h10,12H,5-9H2,1-4H3.
What are the key properties of 2,2-dimethylnonan-3-ol?
2,2-dimethylnonan-3-ol has a molecular weight of 172.31 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylnonan-3-ol is sourced from PubChem (CID 59016596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).