1-[(E)-but-2-en-2-yl]cyclododecan-1-ol

C16H30O — CID 22315771

IUPAC1-[(E)-but-2-en-2-yl]cyclododecan-1-ol
SMILESC/C=C(\C)C1(O)CCCCCCCCCCC1
InChIInChI=1S/C16H30O/c1-3-15(2)16(17)13-11-9-7-5-4-6-8-10-12-14-16/h3,17H,4-14H2,1-2H3/b15-3+
InChIKeyGLXYPBZVIGWFQH-CRKCGEKBSA-N
MW238.41 g/mol
LogP4.99
Rot. Bonds1

About 1-[(E)-but-2-en-2-yl]cyclododecan-1-ol

1-[(E)-but-2-en-2-yl]cyclododecan-1-ol (PubChem CID 22315771) has the molecular formula C16H30O and a molecular weight of 238.41 g/mol. Its IUPAC name is 1-[(E)-but-2-en-2-yl]cyclododecan-1-ol.

Molecular Properties

Compound Name1-[(E)-but-2-en-2-yl]cyclododecan-1-ol
PubChem CID22315771
Molecular FormulaC16H30O
Molecular Weight238.41 g/mol
Exact Mass238.23
IUPAC Name1-[(E)-but-2-en-2-yl]cyclododecan-1-ol
SMILESC/C=C(\C)C1(O)CCCCCCCCCCC1
InChIInChI=1S/C16H30O/c1-3-15(2)16(17)13-11-9-7-5-4-6-8-10-12-14-16/h3,17H,4-14H2,1-2H3/b15-3+
InChIKeyGLXYPBZVIGWFQH-CRKCGEKBSA-N
XLogP4.99
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.41
LogP ≤ 54.99
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 1-[(E)-but-2-en-2-yl]cyclododecan-1-ol?
The IUPAC name of 1-[(E)-but-2-en-2-yl]cyclododecan-1-ol (CID 22315771) is 1-[(E)-but-2-en-2-yl]cyclododecan-1-ol.
What is the SMILES notation for 1-[(E)-but-2-en-2-yl]cyclododecan-1-ol?
The canonical SMILES for 1-[(E)-but-2-en-2-yl]cyclododecan-1-ol is C/C=C(\C)C1(O)CCCCCCCCCCC1.
What is the InChIKey of 1-[(E)-but-2-en-2-yl]cyclododecan-1-ol?
The InChIKey is GLXYPBZVIGWFQH-CRKCGEKBSA-N. The full InChI is InChI=1S/C16H30O/c1-3-15(2)16(17)13-11-9-7-5-4-6-8-10-12-14-16/h3,17H,4-14H2,1-2H3/b15-3+.
What are the key properties of 1-[(E)-but-2-en-2-yl]cyclododecan-1-ol?
1-[(E)-but-2-en-2-yl]cyclododecan-1-ol has a molecular weight of 238.41 g/mol, XLogP of 4.99, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-but-2-en-2-yl]cyclododecan-1-ol is sourced from PubChem (CID 22315771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).