2,2,4,4-tetramethylpentadec-14-en-3-ol

C19H38O — CID 11055138

IUPAC2,2,4,4-tetramethylpentadec-14-en-3-ol
SMILESC=CCCCCCCCCCC(C)(C)C(O)C(C)(C)C
InChIInChI=1S/C19H38O/c1-7-8-9-10-11-12-13-14-15-16-19(5,6)17(20)18(2,3)4/h7,17,20H,1,8-16H2,2-6H3
InChIKeyAYGLXAUABUVGDO-UHFFFAOYSA-N
MW282.51 g/mol
LogP6.12
Rot. Bonds11

About 2,2,4,4-tetramethylpentadec-14-en-3-ol

2,2,4,4-tetramethylpentadec-14-en-3-ol (PubChem CID 11055138) has the molecular formula C19H38O and a molecular weight of 282.51 g/mol. Its IUPAC name is 2,2,4,4-tetramethylpentadec-14-en-3-ol.

Molecular Properties

Compound Name2,2,4,4-tetramethylpentadec-14-en-3-ol
PubChem CID11055138
Molecular FormulaC19H38O
Molecular Weight282.51 g/mol
Exact Mass282.29
IUPAC Name2,2,4,4-tetramethylpentadec-14-en-3-ol
SMILESC=CCCCCCCCCCC(C)(C)C(O)C(C)(C)C
InChIInChI=1S/C19H38O/c1-7-8-9-10-11-12-13-14-15-16-19(5,6)17(20)18(2,3)4/h7,17,20H,1,8-16H2,2-6H3
InChIKeyAYGLXAUABUVGDO-UHFFFAOYSA-N
XLogP6.12
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.51
LogP ≤ 56.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,4,4-tetramethylpentadec-14-en-3-ol?
The IUPAC name of 2,2,4,4-tetramethylpentadec-14-en-3-ol (CID 11055138) is 2,2,4,4-tetramethylpentadec-14-en-3-ol.
What is the SMILES notation for 2,2,4,4-tetramethylpentadec-14-en-3-ol?
The canonical SMILES for 2,2,4,4-tetramethylpentadec-14-en-3-ol is C=CCCCCCCCCCC(C)(C)C(O)C(C)(C)C.
What is the InChIKey of 2,2,4,4-tetramethylpentadec-14-en-3-ol?
The InChIKey is AYGLXAUABUVGDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38O/c1-7-8-9-10-11-12-13-14-15-16-19(5,6)17(20)18(2,3)4/h7,17,20H,1,8-16H2,2-6H3.
What are the key properties of 2,2,4,4-tetramethylpentadec-14-en-3-ol?
2,2,4,4-tetramethylpentadec-14-en-3-ol has a molecular weight of 282.51 g/mol, XLogP of 6.12, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,4-tetramethylpentadec-14-en-3-ol is sourced from PubChem (CID 11055138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).