2,4,6,6-tetramethylhept-2-en-4-ol

C11H22O — CID 130892314

IUPAC2,4,6,6-tetramethylhept-2-en-4-ol
SMILESCC(C)=CC(C)(O)CC(C)(C)C
InChIInChI=1S/C11H22O/c1-9(2)7-11(6,12)8-10(3,4)5/h7,12H,8H2,1-6H3
InChIKeyMZMLSVLTAVJETD-UHFFFAOYSA-N
MW170.30 g/mol
LogP3.14
Rot. Bonds2

About 2,4,6,6-tetramethylhept-2-en-4-ol

2,4,6,6-tetramethylhept-2-en-4-ol (PubChem CID 130892314) has the molecular formula C11H22O and a molecular weight of 170.30 g/mol. Its IUPAC name is 2,4,6,6-tetramethylhept-2-en-4-ol.

Molecular Properties

Compound Name2,4,6,6-tetramethylhept-2-en-4-ol
PubChem CID130892314
Molecular FormulaC11H22O
Molecular Weight170.30 g/mol
Exact Mass170.17
IUPAC Name2,4,6,6-tetramethylhept-2-en-4-ol
SMILESCC(C)=CC(C)(O)CC(C)(C)C
InChIInChI=1S/C11H22O/c1-9(2)7-11(6,12)8-10(3,4)5/h7,12H,8H2,1-6H3
InChIKeyMZMLSVLTAVJETD-UHFFFAOYSA-N
XLogP3.14
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,4,6,6-tetramethylhept-2-en-4-ol?
The IUPAC name of 2,4,6,6-tetramethylhept-2-en-4-ol (CID 130892314) is 2,4,6,6-tetramethylhept-2-en-4-ol.
What is the SMILES notation for 2,4,6,6-tetramethylhept-2-en-4-ol?
The canonical SMILES for 2,4,6,6-tetramethylhept-2-en-4-ol is CC(C)=CC(C)(O)CC(C)(C)C.
What is the InChIKey of 2,4,6,6-tetramethylhept-2-en-4-ol?
The InChIKey is MZMLSVLTAVJETD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O/c1-9(2)7-11(6,12)8-10(3,4)5/h7,12H,8H2,1-6H3.
What are the key properties of 2,4,6,6-tetramethylhept-2-en-4-ol?
2,4,6,6-tetramethylhept-2-en-4-ol has a molecular weight of 170.30 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6,6-tetramethylhept-2-en-4-ol is sourced from PubChem (CID 130892314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).