(1S,4R,8S,9R)-1,4,6-trimethylspiro[3-oxatricyclo[6.2.1.04,9]undec-6-ene-5,1'-cyclopropane]-8-ol

C15H22O2 — CID 162958176

IUPAC(1S,4R,8S,9R)-1,4,6-trimethylspiro[3-oxatricyclo[6.2.1.04,9]undec-6-ene-5,1'-cyclopropane]-8-ol
SMILESCC1=C[C@@]2(O)C[C@@]3(C)CO[C@](C)([C@@H]2C3)C12CC2
InChIInChI=1S/C15H22O2/c1-10-6-15(16)8-12(2)7-11(15)13(3,17-9-12)14(10)4-5-14/h6,11,16H,4-5,7-9H2,1-3H3/t11-,12-,13+,15+/m0/s1
InChIKeyIRAZMEBBMCFGMQ-RMRHIDDWSA-N
MW234.34 g/mol
LogP2.66
Rot. Bonds

About (1S,4R,8S,9R)-1,4,6-trimethylspiro[3-oxatricyclo[6.2.1.04,9]undec-6-ene-5,1'-cyclopropane]-8-ol

(1S,4R,8S,9R)-1,4,6-trimethylspiro[3-oxatricyclo[6.2.1.04,9]undec-6-ene-5,1'-cyclopropane]-8-ol (PubChem CID 162958176) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is (1S,4R,8S,9R)-1,4,6-trimethylspiro[3-oxatricyclo[6.2.1.04,9]undec-6-ene-5,1'-cyclopropane]-8-ol.

Molecular Properties

Compound Name(1S,4R,8S,9R)-1,4,6-trimethylspiro[3-oxatricyclo[6.2.1.04,9]undec-6-ene-5,1'-cyclopropane]-8-ol
PubChem CID162958176
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name(1S,4R,8S,9R)-1,4,6-trimethylspiro[3-oxatricyclo[6.2.1.04,9]undec-6-ene-5,1'-cyclopropane]-8-ol
SMILESCC1=C[C@@]2(O)C[C@@]3(C)CO[C@](C)([C@@H]2C3)C12CC2
InChIInChI=1S/C15H22O2/c1-10-6-15(16)8-12(2)7-11(15)13(3,17-9-12)14(10)4-5-14/h6,11,16H,4-5,7-9H2,1-3H3/t11-,12-,13+,15+/m0/s1
InChIKeyIRAZMEBBMCFGMQ-RMRHIDDWSA-N
XLogP2.66
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.66
H-Bond Donors ≤ 51
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,4R,8S,9R)-1,4,6-trimethylspiro[3-oxatricyclo[6.2.1.04,9]undec-6-ene-5,1'-cyclopropane]-8-ol?
The IUPAC name of (1S,4R,8S,9R)-1,4,6-trimethylspiro[3-oxatricyclo[6.2.1.04,9]undec-6-ene-5,1'-cyclopropane]-8-ol (CID 162958176) is (1S,4R,8S,9R)-1,4,6-trimethylspiro[3-oxatricyclo[6.2.1.04,9]undec-6-ene-5,1'-cyclopropane]-8-ol.
What is the SMILES notation for (1S,4R,8S,9R)-1,4,6-trimethylspiro[3-oxatricyclo[6.2.1.04,9]undec-6-ene-5,1'-cyclopropane]-8-ol?
The canonical SMILES for (1S,4R,8S,9R)-1,4,6-trimethylspiro[3-oxatricyclo[6.2.1.04,9]undec-6-ene-5,1'-cyclopropane]-8-ol is CC1=C[C@@]2(O)C[C@@]3(C)CO[C@](C)([C@@H]2C3)C12CC2.
What is the InChIKey of (1S,4R,8S,9R)-1,4,6-trimethylspiro[3-oxatricyclo[6.2.1.04,9]undec-6-ene-5,1'-cyclopropane]-8-ol?
The InChIKey is IRAZMEBBMCFGMQ-RMRHIDDWSA-N. The full InChI is InChI=1S/C15H22O2/c1-10-6-15(16)8-12(2)7-11(15)13(3,17-9-12)14(10)4-5-14/h6,11,16H,4-5,7-9H2,1-3H3/t11-,12-,13+,15+/m0/s1.
What are the key properties of (1S,4R,8S,9R)-1,4,6-trimethylspiro[3-oxatricyclo[6.2.1.04,9]undec-6-ene-5,1'-cyclopropane]-8-ol?
(1S,4R,8S,9R)-1,4,6-trimethylspiro[3-oxatricyclo[6.2.1.04,9]undec-6-ene-5,1'-cyclopropane]-8-ol has a molecular weight of 234.34 g/mol, XLogP of 2.66, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4R,8S,9R)-1,4,6-trimethylspiro[3-oxatricyclo[6.2.1.04,9]undec-6-ene-5,1'-cyclopropane]-8-ol is sourced from PubChem (CID 162958176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).