4-(prop-1-enoxymethyl)cyclohexene

C10H16O — CID 54529746

IUPAC4-(prop-1-enoxymethyl)cyclohexene
SMILESCC=COCC1CC=CCC1
InChIInChI=1S/C10H16O/c1-2-8-11-9-10-6-4-3-5-7-10/h2-4,8,10H,5-7,9H2,1H3
InChIKeyYVQVVSGLFOWADT-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.89
Rot. Bonds3

About 4-(prop-1-enoxymethyl)cyclohexene

4-(prop-1-enoxymethyl)cyclohexene (PubChem CID 54529746) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is 4-(prop-1-enoxymethyl)cyclohexene.

Molecular Properties

Compound Name4-(prop-1-enoxymethyl)cyclohexene
PubChem CID54529746
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name4-(prop-1-enoxymethyl)cyclohexene
SMILESCC=COCC1CC=CCC1
InChIInChI=1S/C10H16O/c1-2-8-11-9-10-6-4-3-5-7-10/h2-4,8,10H,5-7,9H2,1H3
InChIKeyYVQVVSGLFOWADT-UHFFFAOYSA-N
XLogP2.89
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-Octene, 8-methoxy-2,6-dimethyl-
CID 91936
4-(Methoxymethyl)cyclohexene
CID 22507470
2-Methoxy-3-methylcyclohexene
CID 519381
3-(Methoxymethyl)cyclohex-1-ene
CID 12450318
4-(Ethoxymethyl)cyclohexene
CID 85982053
1-Ethoxy-3,3,5-trimethylcyclohex-1-ene
CID 11030239
(6S)-1,4-difluoro-6-methyl-5-[[(E)-pent-2-en-2-yl]oxymethyl]cyclohexene
CID 70355407
(4R,5S)-4-fluoro-5-methyl-1-propan-2-yloxycyclohexene
CID 122448719
4-Fluoro-5-methyl-1-propan-2-yloxycyclohexene
CID 130216765
4-Ethyl-1-[(5-fluorocyclohex-3-en-1-yl)methoxy]cyclohexene
CID 141859990
1-Ethoxy-3,7-dimethylocta-1,6-diene
CID 149163078
Citronellyl vinyl ether
CID 22320909

Frequently Asked Questions

What is the IUPAC name of 4-(prop-1-enoxymethyl)cyclohexene?
The IUPAC name of 4-(prop-1-enoxymethyl)cyclohexene (CID 54529746) is 4-(prop-1-enoxymethyl)cyclohexene.
What is the SMILES notation for 4-(prop-1-enoxymethyl)cyclohexene?
The canonical SMILES for 4-(prop-1-enoxymethyl)cyclohexene is CC=COCC1CC=CCC1.
What is the InChIKey of 4-(prop-1-enoxymethyl)cyclohexene?
The InChIKey is YVQVVSGLFOWADT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O/c1-2-8-11-9-10-6-4-3-5-7-10/h2-4,8,10H,5-7,9H2,1H3.
What are the key properties of 4-(prop-1-enoxymethyl)cyclohexene?
4-(prop-1-enoxymethyl)cyclohexene has a molecular weight of 152.24 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(prop-1-enoxymethyl)cyclohexene is sourced from PubChem (CID 54529746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).