1-ethenyl-2-prop-1-en-2-ylcyclododecan-1-ol

C17H30O — CID 13081716

IUPAC1-ethenyl-2-prop-1-en-2-ylcyclododecan-1-ol
SMILESC=CC1(O)CCCCCCCCCCC1C(=C)C
InChIInChI=1S/C17H30O/c1-4-17(18)14-12-10-8-6-5-7-9-11-13-16(17)15(2)3/h4,16,18H,1-2,5-14H2,3H3
InChIKeyLUNQXVPUEFJZOT-UHFFFAOYSA-N
MW250.43 g/mol
LogP5.01
Rot. Bonds2

About 1-ethenyl-2-prop-1-en-2-ylcyclododecan-1-ol

1-ethenyl-2-prop-1-en-2-ylcyclododecan-1-ol (PubChem CID 13081716) has the molecular formula C17H30O and a molecular weight of 250.43 g/mol. Its IUPAC name is 1-ethenyl-2-prop-1-en-2-ylcyclododecan-1-ol.

Molecular Properties

Compound Name1-ethenyl-2-prop-1-en-2-ylcyclododecan-1-ol
PubChem CID13081716
Molecular FormulaC17H30O
Molecular Weight250.43 g/mol
Exact Mass250.23
IUPAC Name1-ethenyl-2-prop-1-en-2-ylcyclododecan-1-ol
SMILESC=CC1(O)CCCCCCCCCCC1C(=C)C
InChIInChI=1S/C17H30O/c1-4-17(18)14-12-10-8-6-5-7-9-11-13-16(17)15(2)3/h4,16,18H,1-2,5-14H2,3H3
InChIKeyLUNQXVPUEFJZOT-UHFFFAOYSA-N
XLogP5.01
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.43
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-ethenyl-2-prop-1-en-2-ylcyclododecan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-2-prop-1-en-2-ylcyclododecan-1-ol?
The IUPAC name of 1-ethenyl-2-prop-1-en-2-ylcyclododecan-1-ol (CID 13081716) is 1-ethenyl-2-prop-1-en-2-ylcyclododecan-1-ol.
What is the SMILES notation for 1-ethenyl-2-prop-1-en-2-ylcyclododecan-1-ol?
The canonical SMILES for 1-ethenyl-2-prop-1-en-2-ylcyclododecan-1-ol is C=CC1(O)CCCCCCCCCCC1C(=C)C.
What is the InChIKey of 1-ethenyl-2-prop-1-en-2-ylcyclododecan-1-ol?
The InChIKey is LUNQXVPUEFJZOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O/c1-4-17(18)14-12-10-8-6-5-7-9-11-13-16(17)15(2)3/h4,16,18H,1-2,5-14H2,3H3.
What are the key properties of 1-ethenyl-2-prop-1-en-2-ylcyclododecan-1-ol?
1-ethenyl-2-prop-1-en-2-ylcyclododecan-1-ol has a molecular weight of 250.43 g/mol, XLogP of 5.01, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-2-prop-1-en-2-ylcyclododecan-1-ol is sourced from PubChem (CID 13081716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).