3,3-dimethylheptan-4-ol

C9H20O — CID 543614

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

About 3,3-dimethylheptan-4-ol

3,3-dimethylheptan-4-ol (PubChem CID 543614) has the molecular formula C9H20O and a molecular weight of 144.26 g/mol. Its IUPAC name is 3,3-dimethylheptan-4-ol.

Molecular Properties

Compound Name3,3-dimethylheptan-4-ol
PubChem CID543614
Molecular FormulaC9H20O
Molecular Weight144.26 g/mol
Exact Mass144.15
IUPAC Name3,3-dimethylheptan-4-ol
SMILESCCCC(O)C(C)(C)CC
InChIInChI=1S/C9H20O/c1-5-7-8(10)9(3,4)6-2/h8,10H,5-7H2,1-4H3
InChIKeyUGAZGYFCTFGQQH-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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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethylheptan-4-ol?
The IUPAC name of 3,3-dimethylheptan-4-ol (CID 543614) is 3,3-dimethylheptan-4-ol.
What is the SMILES notation for 3,3-dimethylheptan-4-ol?
The canonical SMILES for 3,3-dimethylheptan-4-ol is CCCC(O)C(C)(C)CC.
What is the InChIKey of 3,3-dimethylheptan-4-ol?
The InChIKey is UGAZGYFCTFGQQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O/c1-5-7-8(10)9(3,4)6-2/h8,10H,5-7H2,1-4H3.
What are the key properties of 3,3-dimethylheptan-4-ol?
3,3-dimethylheptan-4-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 3,3-dimethylheptan-4-ol is sourced from PubChem (CID 543614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).