4,4-dimethylpentan-1-ol

C7H16O — CID 18393

IUPAC4,4-dimethylpentan-1-ol
SMILESCC(C)(C)CCCO
InChIInChI=1S/C7H16O/c1-7(2,3)5-4-6-8/h8H,4-6H2,1-3H3
InChIKeyOWCNPTHAWPMOJU-UHFFFAOYSA-N
MW116.20 g/mol
LogP1.80
Rot. Bonds2

About 4,4-dimethylpentan-1-ol

4,4-dimethylpentan-1-ol (PubChem CID 18393) has the molecular formula C7H16O and a molecular weight of 116.20 g/mol. Its IUPAC name is 4,4-dimethylpentan-1-ol.

Molecular Properties

Compound Name4,4-dimethylpentan-1-ol
PubChem CID18393
Molecular FormulaC7H16O
Molecular Weight116.20 g/mol
Exact Mass116.12
IUPAC Name4,4-dimethylpentan-1-ol
SMILESCC(C)(C)CCCO
InChIInChI=1S/C7H16O/c1-7(2,3)5-4-6-8/h8H,4-6H2,1-3H3
InChIKeyOWCNPTHAWPMOJU-UHFFFAOYSA-N
XLogP1.80
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.20
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-Methyl-1-pentanol
CID 12296
2-Methyl-1-pentanol
CID 7745
3,3-Dimethyl-1-butanol
CID 12233
2,2,4-Trimethyl-1-pentanol
CID 31258
2,2-Dimethylbutanol
CID 14454
2-Methyl-2-propylpropane-1,3-diol
CID 66220
2,2-Dimethyl-3-pentanol
CID 19871
2,4,4-Trimethylpentan-1-ol
CID 85984
Neoheptanol
CID 16911
2,2-Dimethyl-1-hexanol
CID 16912
2,4-Dimethyl-1-pentanol
CID 22749
4,4-Dimethylpentan-2-ol
CID 110789

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethylpentan-1-ol?
The IUPAC name of 4,4-dimethylpentan-1-ol (CID 18393) is 4,4-dimethylpentan-1-ol.
What is the SMILES notation for 4,4-dimethylpentan-1-ol?
The canonical SMILES for 4,4-dimethylpentan-1-ol is CC(C)(C)CCCO.
What is the InChIKey of 4,4-dimethylpentan-1-ol?
The InChIKey is OWCNPTHAWPMOJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O/c1-7(2,3)5-4-6-8/h8H,4-6H2,1-3H3.
What are the key properties of 4,4-dimethylpentan-1-ol?
4,4-dimethylpentan-1-ol has a molecular weight of 116.20 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethylpentan-1-ol is sourced from PubChem (CID 18393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).