2-ethylidene-6-methoxybicyclo[2.2.1]heptane

C10H16O — CID 85439740

IUPAC2-ethylidene-6-methoxybicyclo[2.2.1]heptane
SMILESCC=C1CC2CC(OC)C1C2
InChIInChI=1S/C10H16O/c1-3-8-4-7-5-9(8)10(6-7)11-2/h3,7,9-10H,4-6H2,1-2H3
InChIKeyHRHAZTMGWPVYGF-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.38
Rot. Bonds1

About 2-ethylidene-6-methoxybicyclo[2.2.1]heptane

2-ethylidene-6-methoxybicyclo[2.2.1]heptane (PubChem CID 85439740) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is 2-ethylidene-6-methoxybicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2-ethylidene-6-methoxybicyclo[2.2.1]heptane
PubChem CID85439740
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name2-ethylidene-6-methoxybicyclo[2.2.1]heptane
SMILESCC=C1CC2CC(OC)C1C2
InChIInChI=1S/C10H16O/c1-3-8-4-7-5-9(8)10(6-7)11-2/h3,7,9-10H,4-6H2,1-2H3
InChIKeyHRHAZTMGWPVYGF-UHFFFAOYSA-N
XLogP2.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethylidene-6-methoxybicyclo[2.2.1]heptane?
The IUPAC name of 2-ethylidene-6-methoxybicyclo[2.2.1]heptane (CID 85439740) is 2-ethylidene-6-methoxybicyclo[2.2.1]heptane.
What is the SMILES notation for 2-ethylidene-6-methoxybicyclo[2.2.1]heptane?
The canonical SMILES for 2-ethylidene-6-methoxybicyclo[2.2.1]heptane is CC=C1CC2CC(OC)C1C2.
What is the InChIKey of 2-ethylidene-6-methoxybicyclo[2.2.1]heptane?
The InChIKey is HRHAZTMGWPVYGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O/c1-3-8-4-7-5-9(8)10(6-7)11-2/h3,7,9-10H,4-6H2,1-2H3.
What are the key properties of 2-ethylidene-6-methoxybicyclo[2.2.1]heptane?
2-ethylidene-6-methoxybicyclo[2.2.1]heptane has a molecular weight of 152.24 g/mol, XLogP of 2.38, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylidene-6-methoxybicyclo[2.2.1]heptane is sourced from PubChem (CID 85439740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).