3,5-dimethylheptan-4-ol

C9H20O — CID 29655

IUPAC3,5-dimethylheptan-4-ol
SMILESCCC(C)C(O)C(C)CC
InChIInChI=1S/C9H20O/c1-5-7(3)9(10)8(4)6-2/h7-10H,5-6H2,1-4H3
InChIKeyZKXITRNXHWEQJU-UHFFFAOYSA-N
MW144.26 g/mol
LogP2.44
Rot. Bonds4

About 3,5-dimethylheptan-4-ol

3,5-dimethylheptan-4-ol (PubChem CID 29655) has the molecular formula C9H20O and a molecular weight of 144.26 g/mol. Its IUPAC name is 3,5-dimethylheptan-4-ol.

Molecular Properties

Compound Name3,5-dimethylheptan-4-ol
PubChem CID29655
Molecular FormulaC9H20O
Molecular Weight144.26 g/mol
Exact Mass144.15
IUPAC Name3,5-dimethylheptan-4-ol
SMILESCCC(C)C(O)C(C)CC
InChIInChI=1S/C9H20O/c1-5-7(3)9(10)8(4)6-2/h7-10H,5-6H2,1-4H3
InChIKeyZKXITRNXHWEQJU-UHFFFAOYSA-N
XLogP2.44
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.26
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-Ethylhexanol
CID 7720
2-Ethyl-1,3-Hexanediol
CID 7211
2,6-Dimethyl-4-heptanol
CID 7957
2-Methyl-3-hexanol
CID 12040
1-Pentanol, 2-propyl-
CID 123543
2-Ethyl-4-methylpentanol
CID 7821
2,6,8-Trimethyl-4-nonanol
CID 61056
4-Methyl-3-heptanol
CID 26989
5-Methyl-2-hexanol
CID 12323
4-Methyl-2-propylpentan-1-ol
CID 103862
7-Ethyl-2-methyl-4-undecanol
CID 97948
3-Octanol, 6-ethyl-
CID 140601

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethylheptan-4-ol?
The IUPAC name of 3,5-dimethylheptan-4-ol (CID 29655) is 3,5-dimethylheptan-4-ol.
What is the SMILES notation for 3,5-dimethylheptan-4-ol?
The canonical SMILES for 3,5-dimethylheptan-4-ol is CCC(C)C(O)C(C)CC.
What is the InChIKey of 3,5-dimethylheptan-4-ol?
The InChIKey is ZKXITRNXHWEQJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O/c1-5-7(3)9(10)8(4)6-2/h7-10H,5-6H2,1-4H3.
What are the key properties of 3,5-dimethylheptan-4-ol?
3,5-dimethylheptan-4-ol has a molecular weight of 144.26 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethylheptan-4-ol is sourced from PubChem (CID 29655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).