3,4,8,8-tetramethylnonan-1-ol

C13H28O — CID 58843211

IUPAC3,4,8,8-tetramethylnonan-1-ol
SMILESCC(CCO)C(C)CCCC(C)(C)C
InChIInChI=1S/C13H28O/c1-11(12(2)8-10-14)7-6-9-13(3,4)5/h11-12,14H,6-10H2,1-5H3
InChIKeyJLIILNSUNSQXBD-UHFFFAOYSA-N
MW200.37 g/mol
LogP3.86
Rot. Bonds6

About 3,4,8,8-tetramethylnonan-1-ol

3,4,8,8-tetramethylnonan-1-ol (PubChem CID 58843211) has the molecular formula C13H28O and a molecular weight of 200.37 g/mol. Its IUPAC name is 3,4,8,8-tetramethylnonan-1-ol.

Molecular Properties

Compound Name3,4,8,8-tetramethylnonan-1-ol
PubChem CID58843211
Molecular FormulaC13H28O
Molecular Weight200.37 g/mol
Exact Mass200.21
IUPAC Name3,4,8,8-tetramethylnonan-1-ol
SMILESCC(CCO)C(C)CCCC(C)(C)C
InChIInChI=1S/C13H28O/c1-11(12(2)8-10-14)7-6-9-13(3,4)5/h11-12,14H,6-10H2,1-5H3
InChIKeyJLIILNSUNSQXBD-UHFFFAOYSA-N
XLogP3.86
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.37
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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4,4-dimethylpentan-1-ol;3-methylbut-1-ene
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2,3,3,7,8-pentamethyldecane
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(4S)-4-methoxy-8,8-dimethylnonan-1-ol
CID 118887633
2,2,6-trimethyloctane
CID 522006
3,7-dimethyloctane-1,4,7-triol
CID 122387915
3,4,6-trimethylheptan-1-ol
CID 139847668
2-(4,4-dimethylpentyl)-2-(hydroxymethyl)propane-1,3-diol
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Frequently Asked Questions

What is the IUPAC name of 3,4,8,8-tetramethylnonan-1-ol?
The IUPAC name of 3,4,8,8-tetramethylnonan-1-ol (CID 58843211) is 3,4,8,8-tetramethylnonan-1-ol.
What is the SMILES notation for 3,4,8,8-tetramethylnonan-1-ol?
The canonical SMILES for 3,4,8,8-tetramethylnonan-1-ol is CC(CCO)C(C)CCCC(C)(C)C.
What is the InChIKey of 3,4,8,8-tetramethylnonan-1-ol?
The InChIKey is JLIILNSUNSQXBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O/c1-11(12(2)8-10-14)7-6-9-13(3,4)5/h11-12,14H,6-10H2,1-5H3.
What are the key properties of 3,4,8,8-tetramethylnonan-1-ol?
3,4,8,8-tetramethylnonan-1-ol has a molecular weight of 200.37 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,8,8-tetramethylnonan-1-ol is sourced from PubChem (CID 58843211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).