3-ethenyl-2-methylundecan-2-ol

C14H28O — CID 151270497

IUPAC3-ethenyl-2-methylundecan-2-ol
SMILESC=CC(CCCCCCCC)C(C)(C)O
InChIInChI=1S/C14H28O/c1-5-7-8-9-10-11-12-13(6-2)14(3,4)15/h6,13,15H,2,5,7-12H2,1,3-4H3
InChIKeyNWGHZNKQWMZZRR-UHFFFAOYSA-N
MW212.38 g/mol
LogP4.31
Rot. Bonds9

About 3-ethenyl-2-methylundecan-2-ol

3-ethenyl-2-methylundecan-2-ol (PubChem CID 151270497) has the molecular formula C14H28O and a molecular weight of 212.38 g/mol. Its IUPAC name is 3-ethenyl-2-methylundecan-2-ol.

Molecular Properties

Compound Name3-ethenyl-2-methylundecan-2-ol
PubChem CID151270497
Molecular FormulaC14H28O
Molecular Weight212.38 g/mol
Exact Mass212.21
IUPAC Name3-ethenyl-2-methylundecan-2-ol
SMILESC=CC(CCCCCCCC)C(C)(C)O
InChIInChI=1S/C14H28O/c1-5-7-8-9-10-11-12-13(6-2)14(3,4)15/h6,13,15H,2,5,7-12H2,1,3-4H3
InChIKeyNWGHZNKQWMZZRR-UHFFFAOYSA-N
XLogP4.31
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 54.31
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 3-ethenyl-2-methylundecan-2-ol?
The IUPAC name of 3-ethenyl-2-methylundecan-2-ol (CID 151270497) is 3-ethenyl-2-methylundecan-2-ol.
What is the SMILES notation for 3-ethenyl-2-methylundecan-2-ol?
The canonical SMILES for 3-ethenyl-2-methylundecan-2-ol is C=CC(CCCCCCCC)C(C)(C)O.
What is the InChIKey of 3-ethenyl-2-methylundecan-2-ol?
The InChIKey is NWGHZNKQWMZZRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O/c1-5-7-8-9-10-11-12-13(6-2)14(3,4)15/h6,13,15H,2,5,7-12H2,1,3-4H3.
What are the key properties of 3-ethenyl-2-methylundecan-2-ol?
3-ethenyl-2-methylundecan-2-ol has a molecular weight of 212.38 g/mol, XLogP of 4.31, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-2-methylundecan-2-ol is sourced from PubChem (CID 151270497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).