[(E)-prop-1-enoxy]cyclododecane

C15H28O — CID 5374044

IUPAC[(E)-prop-1-enoxy]cyclododecane
SMILESC/C=C/OC1CCCCCCCCCCC1
InChIInChI=1S/C15H28O/c1-2-14-16-15-12-10-8-6-4-3-5-7-9-11-13-15/h2,14-15H,3-13H2,1H3/b14-2+
InChIKeyPYLYFCJACWHWNS-JLZUIIAYSA-N
MW224.39 g/mol
LogP5.21
Rot. Bonds2

About [(E)-prop-1-enoxy]cyclododecane

[(E)-prop-1-enoxy]cyclododecane (PubChem CID 5374044) has the molecular formula C15H28O and a molecular weight of 224.39 g/mol. Its IUPAC name is [(E)-prop-1-enoxy]cyclododecane.

Molecular Properties

Compound Name[(E)-prop-1-enoxy]cyclododecane
PubChem CID5374044
Molecular FormulaC15H28O
Molecular Weight224.39 g/mol
Exact Mass224.21
IUPAC Name[(E)-prop-1-enoxy]cyclododecane
SMILESC/C=C/OC1CCCCCCCCCCC1
InChIInChI=1S/C15H28O/c1-2-14-16-15-12-10-8-6-4-3-5-7-9-11-13-15/h2,14-15H,3-13H2,1H3/b14-2+
InChIKeyPYLYFCJACWHWNS-JLZUIIAYSA-N
XLogP5.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500224.39
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

prop-1-enoxycyclopropane
CID 68845032
3-[(Z)-prop-1-enoxy]oxetane
CID 24974478
2-[(E)-prop-1-enoxy]oxane
CID 12835881
2-[(E)-prop-1-enoxy]cyclohexan-1-ol
CID 22617135
cyclononyl formate
CID 87065625
2-cyclohexyloxyethenylbenzene
CID 67017506
methoxycyclooctane
CID 551195
CID 174066686
CID 174066686
1,1-di(cyclodecyl)but-2-enylcyclodecane
CID 140978091
(E)-3-cyclohexyloxy-1-phenylprop-2-en-1-one
CID 102524149
cyclohexyl formate;piperidine
CID 174620943
prop-1-enylcyclododecane
CID 139760926

Frequently Asked Questions

What is the IUPAC name of [(E)-prop-1-enoxy]cyclododecane?
The IUPAC name of [(E)-prop-1-enoxy]cyclododecane (CID 5374044) is [(E)-prop-1-enoxy]cyclododecane.
What is the SMILES notation for [(E)-prop-1-enoxy]cyclododecane?
The canonical SMILES for [(E)-prop-1-enoxy]cyclododecane is C/C=C/OC1CCCCCCCCCCC1.
What is the InChIKey of [(E)-prop-1-enoxy]cyclododecane?
The InChIKey is PYLYFCJACWHWNS-JLZUIIAYSA-N. The full InChI is InChI=1S/C15H28O/c1-2-14-16-15-12-10-8-6-4-3-5-7-9-11-13-15/h2,14-15H,3-13H2,1H3/b14-2+.
What are the key properties of [(E)-prop-1-enoxy]cyclododecane?
[(E)-prop-1-enoxy]cyclododecane has a molecular weight of 224.39 g/mol, XLogP of 5.21, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-prop-1-enoxy]cyclododecane is sourced from PubChem (CID 5374044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).