2,3,3,4-tetramethylpent-4-en-2-ol

C9H18O — CID 10442027

IUPAC2,3,3,4-tetramethylpent-4-en-2-ol
SMILESC=C(C)C(C)(C)C(C)(C)O
InChIInChI=1S/C9H18O/c1-7(2)8(3,4)9(5,6)10/h10H,1H2,2-6H3
InChIKeyHFFXXCXFPKBQAK-UHFFFAOYSA-N
MW142.24 g/mol
LogP2.36
Rot. Bonds2

About 2,3,3,4-tetramethylpent-4-en-2-ol

2,3,3,4-tetramethylpent-4-en-2-ol (PubChem CID 10442027) has the molecular formula C9H18O and a molecular weight of 142.24 g/mol. Its IUPAC name is 2,3,3,4-tetramethylpent-4-en-2-ol.

Molecular Properties

Compound Name2,3,3,4-tetramethylpent-4-en-2-ol
PubChem CID10442027
Molecular FormulaC9H18O
Molecular Weight142.24 g/mol
Exact Mass142.14
IUPAC Name2,3,3,4-tetramethylpent-4-en-2-ol
SMILESC=C(C)C(C)(C)C(C)(C)O
InChIInChI=1S/C9H18O/c1-7(2)8(3,4)9(5,6)10/h10H,1H2,2-6H3
InChIKeyHFFXXCXFPKBQAK-UHFFFAOYSA-N
XLogP2.36
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.24
LogP ≤ 52.36
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 2,3,3,4-tetramethylpent-4-en-2-ol?
The IUPAC name of 2,3,3,4-tetramethylpent-4-en-2-ol (CID 10442027) is 2,3,3,4-tetramethylpent-4-en-2-ol.
What is the SMILES notation for 2,3,3,4-tetramethylpent-4-en-2-ol?
The canonical SMILES for 2,3,3,4-tetramethylpent-4-en-2-ol is C=C(C)C(C)(C)C(C)(C)O.
What is the InChIKey of 2,3,3,4-tetramethylpent-4-en-2-ol?
The InChIKey is HFFXXCXFPKBQAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O/c1-7(2)8(3,4)9(5,6)10/h10H,1H2,2-6H3.
What are the key properties of 2,3,3,4-tetramethylpent-4-en-2-ol?
2,3,3,4-tetramethylpent-4-en-2-ol has a molecular weight of 142.24 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3,4-tetramethylpent-4-en-2-ol is sourced from PubChem (CID 10442027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).