[(Z)-prop-1-enoxy]methylcyclododecane

C16H30O — CID 70555643

IUPAC[(Z)-prop-1-enoxy]methylcyclododecane
SMILESC/C=C\OCC1CCCCCCCCCCC1
InChIInChI=1S/C16H30O/c1-2-14-17-15-16-12-10-8-6-4-3-5-7-9-11-13-16/h2,14,16H,3-13,15H2,1H3/b14-2-
InChIKeyKPWHNLMDUZQXHL-VVHNFQOZSA-N
MW238.41 g/mol
LogP5.46
Rot. Bonds3

About [(Z)-prop-1-enoxy]methylcyclododecane

[(Z)-prop-1-enoxy]methylcyclododecane (PubChem CID 70555643) has the molecular formula C16H30O and a molecular weight of 238.41 g/mol. Its IUPAC name is [(Z)-prop-1-enoxy]methylcyclododecane.

Molecular Properties

Compound Name[(Z)-prop-1-enoxy]methylcyclododecane
PubChem CID70555643
Molecular FormulaC16H30O
Molecular Weight238.41 g/mol
Exact Mass238.23
IUPAC Name[(Z)-prop-1-enoxy]methylcyclododecane
SMILESC/C=C\OCC1CCCCCCCCCCC1
InChIInChI=1S/C16H30O/c1-2-14-17-15-16-12-10-8-6-4-3-5-7-9-11-13-16/h2,14,16H,3-13,15H2,1H3/b14-2-
InChIKeyKPWHNLMDUZQXHL-VVHNFQOZSA-N
XLogP5.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500238.41
LogP ≤ 55.46
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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Frequently Asked Questions

What is the IUPAC name of [(Z)-prop-1-enoxy]methylcyclododecane?
The IUPAC name of [(Z)-prop-1-enoxy]methylcyclododecane (CID 70555643) is [(Z)-prop-1-enoxy]methylcyclododecane.
What is the SMILES notation for [(Z)-prop-1-enoxy]methylcyclododecane?
The canonical SMILES for [(Z)-prop-1-enoxy]methylcyclododecane is C/C=C\OCC1CCCCCCCCCCC1.
What is the InChIKey of [(Z)-prop-1-enoxy]methylcyclododecane?
The InChIKey is KPWHNLMDUZQXHL-VVHNFQOZSA-N. The full InChI is InChI=1S/C16H30O/c1-2-14-17-15-16-12-10-8-6-4-3-5-7-9-11-13-16/h2,14,16H,3-13,15H2,1H3/b14-2-.
What are the key properties of [(Z)-prop-1-enoxy]methylcyclododecane?
[(Z)-prop-1-enoxy]methylcyclododecane has a molecular weight of 238.41 g/mol, XLogP of 5.46, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-prop-1-enoxy]methylcyclododecane is sourced from PubChem (CID 70555643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).