(1R,4E,8R,9S)-4,11,11-trimethylspiro[bicyclo[7.2.0]undec-4-ene-8,2'-oxirane]

C15H24O — CID 162967750

IUPAC(1R,4E,8R,9S)-4,11,11-trimethylspiro[bicyclo[7.2.0]undec-4-ene-8,2'-oxirane]
SMILESC/C1=C\CC[C@]2(CO2)[C@H]2CC(C)(C)[C@@H]2CC1
InChIInChI=1S/C15H24O/c1-11-5-4-8-15(10-16-15)13-9-14(2,3)12(13)7-6-11/h5,12-13H,4,6-10H2,1-3H3/b11-5+/t12-,13+,15+/m1/s1
InChIKeyAURKDPLYMRHYAY-USNDISCDSA-N
MW220.36 g/mol
LogP3.94
Rot. Bonds

About (1R,4E,8R,9S)-4,11,11-trimethylspiro[bicyclo[7.2.0]undec-4-ene-8,2'-oxirane]

(1R,4E,8R,9S)-4,11,11-trimethylspiro[bicyclo[7.2.0]undec-4-ene-8,2'-oxirane] (PubChem CID 162967750) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is (1R,4E,8R,9S)-4,11,11-trimethylspiro[bicyclo[7.2.0]undec-4-ene-8,2'-oxirane].

Molecular Properties

Compound Name(1R,4E,8R,9S)-4,11,11-trimethylspiro[bicyclo[7.2.0]undec-4-ene-8,2'-oxirane]
PubChem CID162967750
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name(1R,4E,8R,9S)-4,11,11-trimethylspiro[bicyclo[7.2.0]undec-4-ene-8,2'-oxirane]
SMILESC/C1=C\CC[C@]2(CO2)[C@H]2CC(C)(C)[C@@H]2CC1
InChIInChI=1S/C15H24O/c1-11-5-4-8-15(10-16-15)13-9-14(2,3)12(13)7-6-11/h5,12-13H,4,6-10H2,1-3H3/b11-5+/t12-,13+,15+/m1/s1
InChIKeyAURKDPLYMRHYAY-USNDISCDSA-N
XLogP3.94
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1R,4E,8R,9S)-4,11,11-trimethylspiro[bicyclo[7.2.0]undec-4-ene-8,2'-oxirane]?
The IUPAC name of (1R,4E,8R,9S)-4,11,11-trimethylspiro[bicyclo[7.2.0]undec-4-ene-8,2'-oxirane] (CID 162967750) is (1R,4E,8R,9S)-4,11,11-trimethylspiro[bicyclo[7.2.0]undec-4-ene-8,2'-oxirane].
What is the SMILES notation for (1R,4E,8R,9S)-4,11,11-trimethylspiro[bicyclo[7.2.0]undec-4-ene-8,2'-oxirane]?
The canonical SMILES for (1R,4E,8R,9S)-4,11,11-trimethylspiro[bicyclo[7.2.0]undec-4-ene-8,2'-oxirane] is C/C1=C\CC[C@]2(CO2)[C@H]2CC(C)(C)[C@@H]2CC1.
What is the InChIKey of (1R,4E,8R,9S)-4,11,11-trimethylspiro[bicyclo[7.2.0]undec-4-ene-8,2'-oxirane]?
The InChIKey is AURKDPLYMRHYAY-USNDISCDSA-N. The full InChI is InChI=1S/C15H24O/c1-11-5-4-8-15(10-16-15)13-9-14(2,3)12(13)7-6-11/h5,12-13H,4,6-10H2,1-3H3/b11-5+/t12-,13+,15+/m1/s1.
What are the key properties of (1R,4E,8R,9S)-4,11,11-trimethylspiro[bicyclo[7.2.0]undec-4-ene-8,2'-oxirane]?
(1R,4E,8R,9S)-4,11,11-trimethylspiro[bicyclo[7.2.0]undec-4-ene-8,2'-oxirane] has a molecular weight of 220.36 g/mol, XLogP of 3.94, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4E,8R,9S)-4,11,11-trimethylspiro[bicyclo[7.2.0]undec-4-ene-8,2'-oxirane] is sourced from PubChem (CID 162967750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).