3,6-dimethylheptan-3-ol

C9H20O — CID 15297

IUPAC3,6-dimethylheptan-3-ol
SMILESCCC(C)(O)CCC(C)C
InChIInChI=1S/C9H20O/c1-5-9(4,10)7-6-8(2)3/h8,10H,5-7H2,1-4H3
InChIKeyHVPGGLNDHUWMLS-UHFFFAOYSA-N
MW144.26 g/mol
LogP2.58
Rot. Bonds4

About 3,6-dimethylheptan-3-ol

3,6-dimethylheptan-3-ol (PubChem CID 15297) has the molecular formula C9H20O and a molecular weight of 144.26 g/mol. Its IUPAC name is 3,6-dimethylheptan-3-ol.

Molecular Properties

Compound Name3,6-dimethylheptan-3-ol
PubChem CID15297
Molecular FormulaC9H20O
Molecular Weight144.26 g/mol
Exact Mass144.15
IUPAC Name3,6-dimethylheptan-3-ol
SMILESCCC(C)(O)CCC(C)C
InChIInChI=1S/C9H20O/c1-5-9(4,10)7-6-8(2)3/h8,10H,5-7H2,1-4H3
InChIKeyHVPGGLNDHUWMLS-UHFFFAOYSA-N
XLogP2.58
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 ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Tetrahydrolinalool
CID 6548
2-Methyl-2-heptanol
CID 12242
2,4-Dimethyl-4-nonanol
CID 3018500
3,6-Dimethyl-3-octanol
CID 9027
2,6-Dimethyl-2-heptanol
CID 83268
Tetrahydromyrcenol
CID 86751
3-Methyl-3-octanol
CID 21432
2,3-Dimethyl-2-hexanol
CID 137270
3,5-Dimethyl-3-hexanol
CID 98266
3-Methyl-3-heptanol
CID 11710
2,5-Dimethylhexan-2-ol
CID 19506
3-Ethylheptan-3-ol
CID 88241

Frequently Asked Questions

What is the IUPAC name of 3,6-dimethylheptan-3-ol?
The IUPAC name of 3,6-dimethylheptan-3-ol (CID 15297) is 3,6-dimethylheptan-3-ol.
What is the SMILES notation for 3,6-dimethylheptan-3-ol?
The canonical SMILES for 3,6-dimethylheptan-3-ol is CCC(C)(O)CCC(C)C.
What is the InChIKey of 3,6-dimethylheptan-3-ol?
The InChIKey is HVPGGLNDHUWMLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O/c1-5-9(4,10)7-6-8(2)3/h8,10H,5-7H2,1-4H3.
What are the key properties of 3,6-dimethylheptan-3-ol?
3,6-dimethylheptan-3-ol has a molecular weight of 144.26 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethylheptan-3-ol is sourced from PubChem (CID 15297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).