2-[(5-methylidenecyclohex-3-en-1-yl)methoxymethyl]oxirane

C11H16O2 — CID 88970884

IUPAC2-[(5-methylidenecyclohex-3-en-1-yl)methoxymethyl]oxirane
SMILESC=C1C=CCC(COCC2CO2)C1
InChIInChI=1S/C11H16O2/c1-9-3-2-4-10(5-9)6-12-7-11-8-13-11/h2-3,10-11H,1,4-8H2
InChIKeyOGKVLQQWANBBJL-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.92
Rot. Bonds4

About 2-[(5-methylidenecyclohex-3-en-1-yl)methoxymethyl]oxirane

2-[(5-methylidenecyclohex-3-en-1-yl)methoxymethyl]oxirane (PubChem CID 88970884) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is 2-[(5-methylidenecyclohex-3-en-1-yl)methoxymethyl]oxirane.

Molecular Properties

Compound Name2-[(5-methylidenecyclohex-3-en-1-yl)methoxymethyl]oxirane
PubChem CID88970884
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name2-[(5-methylidenecyclohex-3-en-1-yl)methoxymethyl]oxirane
SMILESC=C1C=CCC(COCC2CO2)C1
InChIInChI=1S/C11H16O2/c1-9-3-2-4-10(5-9)6-12-7-11-8-13-11/h2-3,10-11H,1,4-8H2
InChIKeyOGKVLQQWANBBJL-UHFFFAOYSA-N
XLogP1.92
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-methylidenecyclohex-3-en-1-yl)methoxymethyl]oxirane?
The IUPAC name of 2-[(5-methylidenecyclohex-3-en-1-yl)methoxymethyl]oxirane (CID 88970884) is 2-[(5-methylidenecyclohex-3-en-1-yl)methoxymethyl]oxirane.
What is the SMILES notation for 2-[(5-methylidenecyclohex-3-en-1-yl)methoxymethyl]oxirane?
The canonical SMILES for 2-[(5-methylidenecyclohex-3-en-1-yl)methoxymethyl]oxirane is C=C1C=CCC(COCC2CO2)C1.
What is the InChIKey of 2-[(5-methylidenecyclohex-3-en-1-yl)methoxymethyl]oxirane?
The InChIKey is OGKVLQQWANBBJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c1-9-3-2-4-10(5-9)6-12-7-11-8-13-11/h2-3,10-11H,1,4-8H2.
What are the key properties of 2-[(5-methylidenecyclohex-3-en-1-yl)methoxymethyl]oxirane?
2-[(5-methylidenecyclohex-3-en-1-yl)methoxymethyl]oxirane has a molecular weight of 180.25 g/mol, XLogP of 1.92, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methylidenecyclohex-3-en-1-yl)methoxymethyl]oxirane is sourced from PubChem (CID 88970884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).