4,4,8,8-tetramethylnonan-2-ol

C13H28O — CID 122384584

IUPAC4,4,8,8-tetramethylnonan-2-ol
SMILESCC(O)CC(C)(C)CCCC(C)(C)C
InChIInChI=1S/C13H28O/c1-11(14)10-13(5,6)9-7-8-12(2,3)4/h11,14H,7-10H2,1-6H3
InChIKeyUFRGRIPDYIEEJH-UHFFFAOYSA-N
MW200.37 g/mol
LogP4.00
Rot. Bonds5

About 4,4,8,8-tetramethylnonan-2-ol

4,4,8,8-tetramethylnonan-2-ol (PubChem CID 122384584) has the molecular formula C13H28O and a molecular weight of 200.37 g/mol. Its IUPAC name is 4,4,8,8-tetramethylnonan-2-ol.

Molecular Properties

Compound Name4,4,8,8-tetramethylnonan-2-ol
PubChem CID122384584
Molecular FormulaC13H28O
Molecular Weight200.37 g/mol
Exact Mass200.21
IUPAC Name4,4,8,8-tetramethylnonan-2-ol
SMILESCC(O)CC(C)(C)CCCC(C)(C)C
InChIInChI=1S/C13H28O/c1-11(14)10-13(5,6)9-7-8-12(2,3)4/h11,14H,7-10H2,1-6H3
InChIKeyUFRGRIPDYIEEJH-UHFFFAOYSA-N
XLogP4.00
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.37
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,4,8,8-tetramethylnonan-2-ol?
The IUPAC name of 4,4,8,8-tetramethylnonan-2-ol (CID 122384584) is 4,4,8,8-tetramethylnonan-2-ol.
What is the SMILES notation for 4,4,8,8-tetramethylnonan-2-ol?
The canonical SMILES for 4,4,8,8-tetramethylnonan-2-ol is CC(O)CC(C)(C)CCCC(C)(C)C.
What is the InChIKey of 4,4,8,8-tetramethylnonan-2-ol?
The InChIKey is UFRGRIPDYIEEJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O/c1-11(14)10-13(5,6)9-7-8-12(2,3)4/h11,14H,7-10H2,1-6H3.
What are the key properties of 4,4,8,8-tetramethylnonan-2-ol?
4,4,8,8-tetramethylnonan-2-ol has a molecular weight of 200.37 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,8,8-tetramethylnonan-2-ol is sourced from PubChem (CID 122384584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).