2,2,3-trimethylhexa-4,5-dien-3-ol

C9H16O — CID 10773071

IUPAC2,2,3-trimethylhexa-4,5-dien-3-ol
SMILESC=C=CC(C)(O)C(C)(C)C
InChIInChI=1S/C9H16O/c1-6-7-9(5,10)8(2,3)4/h7,10H,1H2,2-5H3
InChIKeyFMOAWYNGJQIBLU-UHFFFAOYSA-N
MW140.23 g/mol
LogP2.12
Rot. Bonds1

About 2,2,3-trimethylhexa-4,5-dien-3-ol

2,2,3-trimethylhexa-4,5-dien-3-ol (PubChem CID 10773071) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is 2,2,3-trimethylhexa-4,5-dien-3-ol.

Molecular Properties

Compound Name2,2,3-trimethylhexa-4,5-dien-3-ol
PubChem CID10773071
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name2,2,3-trimethylhexa-4,5-dien-3-ol
SMILESC=C=CC(C)(O)C(C)(C)C
InChIInChI=1S/C9H16O/c1-6-7-9(5,10)8(2,3)4/h7,10H,1H2,2-5H3
InChIKeyFMOAWYNGJQIBLU-UHFFFAOYSA-N
XLogP2.12
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2,3-trimethylhexa-4,5-dien-3-ol?
The IUPAC name of 2,2,3-trimethylhexa-4,5-dien-3-ol (CID 10773071) is 2,2,3-trimethylhexa-4,5-dien-3-ol.
What is the SMILES notation for 2,2,3-trimethylhexa-4,5-dien-3-ol?
The canonical SMILES for 2,2,3-trimethylhexa-4,5-dien-3-ol is C=C=CC(C)(O)C(C)(C)C.
What is the InChIKey of 2,2,3-trimethylhexa-4,5-dien-3-ol?
The InChIKey is FMOAWYNGJQIBLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O/c1-6-7-9(5,10)8(2,3)4/h7,10H,1H2,2-5H3.
What are the key properties of 2,2,3-trimethylhexa-4,5-dien-3-ol?
2,2,3-trimethylhexa-4,5-dien-3-ol has a molecular weight of 140.23 g/mol, XLogP of 2.12, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-trimethylhexa-4,5-dien-3-ol is sourced from PubChem (CID 10773071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).