3,6-dimethylheptan-2-ol

C9H20O — CID 19871663

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

About 3,6-dimethylheptan-2-ol

3,6-dimethylheptan-2-ol (PubChem CID 19871663) has the molecular formula C9H20O and a molecular weight of 144.26 g/mol. Its IUPAC name is 3,6-dimethylheptan-2-ol.

Molecular Properties

Compound Name3,6-dimethylheptan-2-ol
PubChem CID19871663
Molecular FormulaC9H20O
Molecular Weight144.26 g/mol
Exact Mass144.15
IUPAC Name3,6-dimethylheptan-2-ol
SMILESCC(C)CCC(C)C(C)O
InChIInChI=1S/C9H20O/c1-7(2)5-6-8(3)9(4)10/h7-10H,5-6H2,1-4H3
InChIKeyNTDKHABICKZMPG-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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Frequently Asked Questions

What is the IUPAC name of 3,6-dimethylheptan-2-ol?
The IUPAC name of 3,6-dimethylheptan-2-ol (CID 19871663) is 3,6-dimethylheptan-2-ol.
What is the SMILES notation for 3,6-dimethylheptan-2-ol?
The canonical SMILES for 3,6-dimethylheptan-2-ol is CC(C)CCC(C)C(C)O.
What is the InChIKey of 3,6-dimethylheptan-2-ol?
The InChIKey is NTDKHABICKZMPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O/c1-7(2)5-6-8(3)9(4)10/h7-10H,5-6H2,1-4H3.
What are the key properties of 3,6-dimethylheptan-2-ol?
3,6-dimethylheptan-2-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 3,6-dimethylheptan-2-ol is sourced from PubChem (CID 19871663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).