1-methoxy-4-(1-methoxyethenyl)cyclohexene

C10H16O2 — CID 131850172

IUPAC1-methoxy-4-(1-methoxyethenyl)cyclohexene
SMILESC=C(OC)C1CC=C(OC)CC1
InChIInChI=1S/C10H16O2/c1-8(11-2)9-4-6-10(12-3)7-5-9/h6,9H,1,4-5,7H2,2-3H3
InChIKeyANVGNTXFTWZXDQ-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.48
Rot. Bonds3

About 1-methoxy-4-(1-methoxyethenyl)cyclohexene

1-methoxy-4-(1-methoxyethenyl)cyclohexene (PubChem CID 131850172) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 1-methoxy-4-(1-methoxyethenyl)cyclohexene.

Molecular Properties

Compound Name1-methoxy-4-(1-methoxyethenyl)cyclohexene
PubChem CID131850172
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name1-methoxy-4-(1-methoxyethenyl)cyclohexene
SMILESC=C(OC)C1CC=C(OC)CC1
InChIInChI=1S/C10H16O2/c1-8(11-2)9-4-6-10(12-3)7-5-9/h6,9H,1,4-5,7H2,2-3H3
InChIKeyANVGNTXFTWZXDQ-UHFFFAOYSA-N
XLogP2.48
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 1-methoxy-4-(1-methoxyethenyl)cyclohexene?
The IUPAC name of 1-methoxy-4-(1-methoxyethenyl)cyclohexene (CID 131850172) is 1-methoxy-4-(1-methoxyethenyl)cyclohexene.
What is the SMILES notation for 1-methoxy-4-(1-methoxyethenyl)cyclohexene?
The canonical SMILES for 1-methoxy-4-(1-methoxyethenyl)cyclohexene is C=C(OC)C1CC=C(OC)CC1.
What is the InChIKey of 1-methoxy-4-(1-methoxyethenyl)cyclohexene?
The InChIKey is ANVGNTXFTWZXDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-8(11-2)9-4-6-10(12-3)7-5-9/h6,9H,1,4-5,7H2,2-3H3.
What are the key properties of 1-methoxy-4-(1-methoxyethenyl)cyclohexene?
1-methoxy-4-(1-methoxyethenyl)cyclohexene has a molecular weight of 168.24 g/mol, XLogP of 2.48, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-(1-methoxyethenyl)cyclohexene is sourced from PubChem (CID 131850172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).