prop-1-enylcyclododecane

C15H28 — CID 139760926

IUPACprop-1-enylcyclododecane
SMILESCC=CC1CCCCCCCCCCC1
InChIInChI=1S/C15H28/c1-2-12-15-13-10-8-6-4-3-5-7-9-11-14-15/h2,12,15H,3-11,13-14H2,1H3
InChIKeyMCKXVXLXCFJSLQ-UHFFFAOYSA-N
MW208.39 g/mol
LogP5.48
Rot. Bonds1

About prop-1-enylcyclododecane

prop-1-enylcyclododecane (PubChem CID 139760926) has the molecular formula C15H28 and a molecular weight of 208.39 g/mol. Its IUPAC name is prop-1-enylcyclododecane.

Molecular Properties

Compound Nameprop-1-enylcyclododecane
PubChem CID139760926
Molecular FormulaC15H28
Molecular Weight208.39 g/mol
Exact Mass208.22
IUPAC Nameprop-1-enylcyclododecane
SMILESCC=CC1CCCCCCCCCCC1
InChIInChI=1S/C15H28/c1-2-12-15-13-10-8-6-4-3-5-7-9-11-14-15/h2,12,15H,3-11,13-14H2,1H3
InChIKeyMCKXVXLXCFJSLQ-UHFFFAOYSA-N
XLogP5.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500208.39
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-cyclohexylethenylcyclohexane
CID 4124459
1-[(E)-prop-1-enyl]-4-[(E)-2-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]ethenyl]cyclohexane
CID 59431504
4-[(E)-prop-1-enyl]cyclohexan-1-ol
CID 14498680
4-prop-1-enyloxane
CID 67943366
4-[(E)-prop-1-enyl]cyclohexan-1-amine
CID 54523071
[(E)-but-1-enyl]cyclodecane
CID 173272598
[(E)-but-1-en-3-ynyl]cyclohexane
CID 14529129
(E)-2-cyclohexylethenethiol
CID 142947684
2-iodoethenylcyclohexane
CID 71361827
1-ethyl-4-[(E)-prop-1-enyl]cyclohexane
CID 59981886
(E)-4-cycloheptylbut-3-en-2-amine
CID 103091494
[(1E,3E,5Z)-4-methoxyhepta-1,3,5-trienyl]cyclohexane
CID 130256816

Frequently Asked Questions

What is the IUPAC name of prop-1-enylcyclododecane?
The IUPAC name of prop-1-enylcyclododecane (CID 139760926) is prop-1-enylcyclododecane.
What is the SMILES notation for prop-1-enylcyclododecane?
The canonical SMILES for prop-1-enylcyclododecane is CC=CC1CCCCCCCCCCC1.
What is the InChIKey of prop-1-enylcyclododecane?
The InChIKey is MCKXVXLXCFJSLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28/c1-2-12-15-13-10-8-6-4-3-5-7-9-11-14-15/h2,12,15H,3-11,13-14H2,1H3.
What are the key properties of prop-1-enylcyclododecane?
prop-1-enylcyclododecane has a molecular weight of 208.39 g/mol, XLogP of 5.48, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for prop-1-enylcyclododecane is sourced from PubChem (CID 139760926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).