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

C15H22O2 — CID 119025632

IUPAC(1S,3'R,5R,8R)-5-methyl-3'-prop-1-en-2-ylspiro[6-oxabicyclo[3.2.1]octane-8,1'-cyclopentane]-3-one
SMILESC=C(C)[C@@H]1CC[C@@]2(C1)[C@H]1CO[C@]2(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/t11-,12-,14-,15-/m1/s1
InChIKeyYHIWYGHFGRMQMO-QHSBEEBCSA-N
MW234.34 g/mol
LogP3.12
Rot. Bonds1

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

(1S,3'R,5R,8R)-5-methyl-3'-prop-1-en-2-ylspiro[6-oxabicyclo[3.2.1]octane-8,1'-cyclopentane]-3-one (PubChem CID 119025632) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is (1S,3'R,5R,8R)-5-methyl-3'-prop-1-en-2-ylspiro[6-oxabicyclo[3.2.1]octane-8,1'-cyclopentane]-3-one.

Molecular Properties

Compound Name(1S,3'R,5R,8R)-5-methyl-3'-prop-1-en-2-ylspiro[6-oxabicyclo[3.2.1]octane-8,1'-cyclopentane]-3-one
PubChem CID119025632
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name(1S,3'R,5R,8R)-5-methyl-3'-prop-1-en-2-ylspiro[6-oxabicyclo[3.2.1]octane-8,1'-cyclopentane]-3-one
SMILESC=C(C)[C@@H]1CC[C@@]2(C1)[C@H]1CO[C@]2(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/t11-,12-,14-,15-/m1/s1
InChIKeyYHIWYGHFGRMQMO-QHSBEEBCSA-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 (1S,3'R,5R,8R)-5-methyl-3'-prop-1-en-2-ylspiro[6-oxabicyclo[3.2.1]octane-8,1'-cyclopentane]-3-one?
The IUPAC name of (1S,3'R,5R,8R)-5-methyl-3'-prop-1-en-2-ylspiro[6-oxabicyclo[3.2.1]octane-8,1'-cyclopentane]-3-one (CID 119025632) is (1S,3'R,5R,8R)-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 (1S,3'R,5R,8R)-5-methyl-3'-prop-1-en-2-ylspiro[6-oxabicyclo[3.2.1]octane-8,1'-cyclopentane]-3-one?
The canonical SMILES for (1S,3'R,5R,8R)-5-methyl-3'-prop-1-en-2-ylspiro[6-oxabicyclo[3.2.1]octane-8,1'-cyclopentane]-3-one is C=C(C)[C@@H]1CC[C@@]2(C1)[C@H]1CO[C@]2(C)CC(=O)C1.
What is the InChIKey of (1S,3'R,5R,8R)-5-methyl-3'-prop-1-en-2-ylspiro[6-oxabicyclo[3.2.1]octane-8,1'-cyclopentane]-3-one?
The InChIKey is YHIWYGHFGRMQMO-QHSBEEBCSA-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/t11-,12-,14-,15-/m1/s1.
What are the key properties of (1S,3'R,5R,8R)-5-methyl-3'-prop-1-en-2-ylspiro[6-oxabicyclo[3.2.1]octane-8,1'-cyclopentane]-3-one?
(1S,3'R,5R,8R)-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 (1S,3'R,5R,8R)-5-methyl-3'-prop-1-en-2-ylspiro[6-oxabicyclo[3.2.1]octane-8,1'-cyclopentane]-3-one is sourced from PubChem (CID 119025632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).