8-ethylidene-7-oxabicyclo[4.2.1]nonane

C10H16O — CID 123311074

IUPAC8-ethylidene-7-oxabicyclo[4.2.1]nonane
SMILESCC=C1OC2CCCCC1C2
InChIInChI=1S/C10H16O/c1-2-10-8-5-3-4-6-9(7-8)11-10/h2,8-9H,3-7H2,1H3
InChIKeyPSGBLIMKLAJZFD-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.87
Rot. Bonds

About 8-ethylidene-7-oxabicyclo[4.2.1]nonane

8-ethylidene-7-oxabicyclo[4.2.1]nonane (PubChem CID 123311074) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is 8-ethylidene-7-oxabicyclo[4.2.1]nonane.

Molecular Properties

Compound Name8-ethylidene-7-oxabicyclo[4.2.1]nonane
PubChem CID123311074
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name8-ethylidene-7-oxabicyclo[4.2.1]nonane
SMILESCC=C1OC2CCCCC1C2
InChIInChI=1S/C10H16O/c1-2-10-8-5-3-4-6-9(7-8)11-10/h2,8-9H,3-7H2,1H3
InChIKeyPSGBLIMKLAJZFD-UHFFFAOYSA-N
XLogP2.87
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 8-ethylidene-7-oxabicyclo[4.2.1]nonane?
The IUPAC name of 8-ethylidene-7-oxabicyclo[4.2.1]nonane (CID 123311074) is 8-ethylidene-7-oxabicyclo[4.2.1]nonane.
What is the SMILES notation for 8-ethylidene-7-oxabicyclo[4.2.1]nonane?
The canonical SMILES for 8-ethylidene-7-oxabicyclo[4.2.1]nonane is CC=C1OC2CCCCC1C2.
What is the InChIKey of 8-ethylidene-7-oxabicyclo[4.2.1]nonane?
The InChIKey is PSGBLIMKLAJZFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O/c1-2-10-8-5-3-4-6-9(7-8)11-10/h2,8-9H,3-7H2,1H3.
What are the key properties of 8-ethylidene-7-oxabicyclo[4.2.1]nonane?
8-ethylidene-7-oxabicyclo[4.2.1]nonane has a molecular weight of 152.24 g/mol, XLogP of 2.87, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethylidene-7-oxabicyclo[4.2.1]nonane is sourced from PubChem (CID 123311074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).