5-methyl-3'-prop-1-en-2-ylspiro[6-oxabicyclo[3.2.1]octane-8,1'-cyclopentane]-3-one

C15H22O2 — CID 14258974

IUPAC5-methyl-3'-prop-1-en-2-ylspiro[6-oxabicyclo[3.2.1]octane-8,1'-cyclopentane]-3-one
SMILESC=C(C)C1CCC2(C1)C1COC2(C)CC(=O)C1
InChIInChI=1S/C15H22O2/c1-10(2)11-4-5-15(7-11)12-6-13(16)8-14(15,3)17-9-12/h11-12H,1,4-9H2,2-3H3
InChIKeyYHIWYGHFGRMQMO-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.12
Rot. Bonds1

About 5-methyl-3'-prop-1-en-2-ylspiro[6-oxabicyclo[3.2.1]octane-8,1'-cyclopentane]-3-one

5-methyl-3'-prop-1-en-2-ylspiro[6-oxabicyclo[3.2.1]octane-8,1'-cyclopentane]-3-one (PubChem CID 14258974) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 5-methyl-3'-prop-1-en-2-ylspiro[6-oxabicyclo[3.2.1]octane-8,1'-cyclopentane]-3-one.

Molecular Properties

Compound Name5-methyl-3'-prop-1-en-2-ylspiro[6-oxabicyclo[3.2.1]octane-8,1'-cyclopentane]-3-one
PubChem CID14258974
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name5-methyl-3'-prop-1-en-2-ylspiro[6-oxabicyclo[3.2.1]octane-8,1'-cyclopentane]-3-one
SMILESC=C(C)C1CCC2(C1)C1COC2(C)CC(=O)C1
InChIInChI=1S/C15H22O2/c1-10(2)11-4-5-15(7-11)12-6-13(16)8-14(15,3)17-9-12/h11-12H,1,4-9H2,2-3H3
InChIKeyYHIWYGHFGRMQMO-UHFFFAOYSA-N
XLogP3.12
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-methyl-3'-prop-1-en-2-ylspiro[6-oxabicyclo[3.2.1]octane-8,1'-cyclopentane]-3-one?
The IUPAC name of 5-methyl-3'-prop-1-en-2-ylspiro[6-oxabicyclo[3.2.1]octane-8,1'-cyclopentane]-3-one (CID 14258974) is 5-methyl-3'-prop-1-en-2-ylspiro[6-oxabicyclo[3.2.1]octane-8,1'-cyclopentane]-3-one.
What is the SMILES notation for 5-methyl-3'-prop-1-en-2-ylspiro[6-oxabicyclo[3.2.1]octane-8,1'-cyclopentane]-3-one?
The canonical SMILES for 5-methyl-3'-prop-1-en-2-ylspiro[6-oxabicyclo[3.2.1]octane-8,1'-cyclopentane]-3-one is C=C(C)C1CCC2(C1)C1COC2(C)CC(=O)C1.
What is the InChIKey of 5-methyl-3'-prop-1-en-2-ylspiro[6-oxabicyclo[3.2.1]octane-8,1'-cyclopentane]-3-one?
The InChIKey is YHIWYGHFGRMQMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-10(2)11-4-5-15(7-11)12-6-13(16)8-14(15,3)17-9-12/h11-12H,1,4-9H2,2-3H3.
What are the key properties of 5-methyl-3'-prop-1-en-2-ylspiro[6-oxabicyclo[3.2.1]octane-8,1'-cyclopentane]-3-one?
5-methyl-3'-prop-1-en-2-ylspiro[6-oxabicyclo[3.2.1]octane-8,1'-cyclopentane]-3-one has a molecular weight of 234.34 g/mol, XLogP of 3.12, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3'-prop-1-en-2-ylspiro[6-oxabicyclo[3.2.1]octane-8,1'-cyclopentane]-3-one is sourced from PubChem (CID 14258974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).