5-methylidenespiro[4-oxatricyclo[5.2.1.02,6]dec-8-ene-3,1'-cyclopentane]

C14H18O — CID 20695162

IUPAC5-methylidenespiro[4-oxatricyclo[5.2.1.02,6]dec-8-ene-3,1'-cyclopentane]
SMILESC=C1OC2(CCCC2)C2C3C=CC(C3)C12
InChIInChI=1S/C14H18O/c1-9-12-10-4-5-11(8-10)13(12)14(15-9)6-2-3-7-14/h4-5,10-13H,1-3,6-8H2
InChIKeyUWKFYZAVZUYYPV-UHFFFAOYSA-N
MW202.30 g/mol
LogP3.28
Rot. Bonds

About 5-methylidenespiro[4-oxatricyclo[5.2.1.02,6]dec-8-ene-3,1'-cyclopentane]

5-methylidenespiro[4-oxatricyclo[5.2.1.02,6]dec-8-ene-3,1'-cyclopentane] (PubChem CID 20695162) has the molecular formula C14H18O and a molecular weight of 202.30 g/mol. Its IUPAC name is 5-methylidenespiro[4-oxatricyclo[5.2.1.02,6]dec-8-ene-3,1'-cyclopentane].

Molecular Properties

Compound Name5-methylidenespiro[4-oxatricyclo[5.2.1.02,6]dec-8-ene-3,1'-cyclopentane]
PubChem CID20695162
Molecular FormulaC14H18O
Molecular Weight202.30 g/mol
Exact Mass202.14
IUPAC Name5-methylidenespiro[4-oxatricyclo[5.2.1.02,6]dec-8-ene-3,1'-cyclopentane]
SMILESC=C1OC2(CCCC2)C2C3C=CC(C3)C12
InChIInChI=1S/C14H18O/c1-9-12-10-4-5-11(8-10)13(12)14(15-9)6-2-3-7-14/h4-5,10-13H,1-3,6-8H2
InChIKeyUWKFYZAVZUYYPV-UHFFFAOYSA-N
XLogP3.28
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 53.28
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 5-methylidenespiro[4-oxatricyclo[5.2.1.02,6]dec-8-ene-3,1'-cyclopentane]?
The IUPAC name of 5-methylidenespiro[4-oxatricyclo[5.2.1.02,6]dec-8-ene-3,1'-cyclopentane] (CID 20695162) is 5-methylidenespiro[4-oxatricyclo[5.2.1.02,6]dec-8-ene-3,1'-cyclopentane].
What is the SMILES notation for 5-methylidenespiro[4-oxatricyclo[5.2.1.02,6]dec-8-ene-3,1'-cyclopentane]?
The canonical SMILES for 5-methylidenespiro[4-oxatricyclo[5.2.1.02,6]dec-8-ene-3,1'-cyclopentane] is C=C1OC2(CCCC2)C2C3C=CC(C3)C12.
What is the InChIKey of 5-methylidenespiro[4-oxatricyclo[5.2.1.02,6]dec-8-ene-3,1'-cyclopentane]?
The InChIKey is UWKFYZAVZUYYPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O/c1-9-12-10-4-5-11(8-10)13(12)14(15-9)6-2-3-7-14/h4-5,10-13H,1-3,6-8H2.
What are the key properties of 5-methylidenespiro[4-oxatricyclo[5.2.1.02,6]dec-8-ene-3,1'-cyclopentane]?
5-methylidenespiro[4-oxatricyclo[5.2.1.02,6]dec-8-ene-3,1'-cyclopentane] has a molecular weight of 202.30 g/mol, XLogP of 3.28, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylidenespiro[4-oxatricyclo[5.2.1.02,6]dec-8-ene-3,1'-cyclopentane] is sourced from PubChem (CID 20695162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).