4,6,6-trimethylheptan-2-ol

C10H22O — CID 3016592

IUPAC4,6,6-trimethylheptan-2-ol
SMILESCC(O)CC(C)CC(C)(C)C
InChIInChI=1S/C10H22O/c1-8(6-9(2)11)7-10(3,4)5/h8-9,11H,6-7H2,1-5H3
InChIKeyFHQUDZUTAZYJRH-UHFFFAOYSA-N
MW158.28 g/mol
LogP2.83
Rot. Bonds3

About 4,6,6-trimethylheptan-2-ol

4,6,6-trimethylheptan-2-ol (PubChem CID 3016592) has the molecular formula C10H22O and a molecular weight of 158.28 g/mol. Its IUPAC name is 4,6,6-trimethylheptan-2-ol.

Molecular Properties

Compound Name4,6,6-trimethylheptan-2-ol
PubChem CID3016592
Molecular FormulaC10H22O
Molecular Weight158.28 g/mol
Exact Mass158.17
IUPAC Name4,6,6-trimethylheptan-2-ol
SMILESCC(O)CC(C)CC(C)(C)C
InChIInChI=1S/C10H22O/c1-8(6-9(2)11)7-10(3,4)5/h8-9,11H,6-7H2,1-5H3
InChIKeyFHQUDZUTAZYJRH-UHFFFAOYSA-N
XLogP2.83
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.28
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,6,6-trimethylheptan-2-ol?
The IUPAC name of 4,6,6-trimethylheptan-2-ol (CID 3016592) is 4,6,6-trimethylheptan-2-ol.
What is the SMILES notation for 4,6,6-trimethylheptan-2-ol?
The canonical SMILES for 4,6,6-trimethylheptan-2-ol is CC(O)CC(C)CC(C)(C)C.
What is the InChIKey of 4,6,6-trimethylheptan-2-ol?
The InChIKey is FHQUDZUTAZYJRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O/c1-8(6-9(2)11)7-10(3,4)5/h8-9,11H,6-7H2,1-5H3.
What are the key properties of 4,6,6-trimethylheptan-2-ol?
4,6,6-trimethylheptan-2-ol has a molecular weight of 158.28 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6,6-trimethylheptan-2-ol is sourced from PubChem (CID 3016592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).