prop-1-enoxymethylcyclohexane

C10H18O — CID 69380963

IUPACprop-1-enoxymethylcyclohexane
SMILESCC=COCC1CCCCC1
InChIInChI=1S/C10H18O/c1-2-8-11-9-10-6-4-3-5-7-10/h2,8,10H,3-7,9H2,1H3
InChIKeyHOURMKVSYGOCPP-UHFFFAOYSA-N
MW154.25 g/mol
LogP3.12
Rot. Bonds3

About prop-1-enoxymethylcyclohexane

prop-1-enoxymethylcyclohexane (PubChem CID 69380963) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is prop-1-enoxymethylcyclohexane.

Molecular Properties

Compound Nameprop-1-enoxymethylcyclohexane
PubChem CID69380963
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Nameprop-1-enoxymethylcyclohexane
SMILESCC=COCC1CCCCC1
InChIInChI=1S/C10H18O/c1-2-8-11-9-10-6-4-3-5-7-10/h2,8,10H,3-7,9H2,1H3
InChIKeyHOURMKVSYGOCPP-UHFFFAOYSA-N
XLogP3.12
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 53.12
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 prop-1-enoxymethylcyclohexane?
The IUPAC name of prop-1-enoxymethylcyclohexane (CID 69380963) is prop-1-enoxymethylcyclohexane.
What is the SMILES notation for prop-1-enoxymethylcyclohexane?
The canonical SMILES for prop-1-enoxymethylcyclohexane is CC=COCC1CCCCC1.
What is the InChIKey of prop-1-enoxymethylcyclohexane?
The InChIKey is HOURMKVSYGOCPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O/c1-2-8-11-9-10-6-4-3-5-7-10/h2,8,10H,3-7,9H2,1H3.
What are the key properties of prop-1-enoxymethylcyclohexane?
prop-1-enoxymethylcyclohexane has a molecular weight of 154.25 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for prop-1-enoxymethylcyclohexane is sourced from PubChem (CID 69380963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).