[(1R,2S,8S)-5,5-dimethylspiro[4,6-dioxatricyclo[7.2.1.02,8]dodec-10-ene-12,2'-cyclopropane]-1'-yl]methanol

C15H22O3 — CID 134835253

IUPAC[(1R,2S,8S)-5,5-dimethylspiro[4,6-dioxatricyclo[7.2.1.02,8]dodec-10-ene-12,2'-cyclopropane]-1'-yl]methanol
SMILESCC1(C)OC[C@H]2[C@H]3C=CC([C@@H]2CO1)C31CC1CO
InChIInChI=1S/C15H22O3/c1-14(2)17-7-10-11(8-18-14)13-4-3-12(10)15(13)5-9(15)6-16/h3-4,9-13,16H,5-8H2,1-2H3/t9?,10-,11-,12-,13?,15?/m1/s1
InChIKeyRHTYHUKVGONBSR-BIQGACQUSA-N
MW250.34 g/mol
LogP1.82
Rot. Bonds1

About [(1R,2S,8S)-5,5-dimethylspiro[4,6-dioxatricyclo[7.2.1.02,8]dodec-10-ene-12,2'-cyclopropane]-1'-yl]methanol

[(1R,2S,8S)-5,5-dimethylspiro[4,6-dioxatricyclo[7.2.1.02,8]dodec-10-ene-12,2'-cyclopropane]-1'-yl]methanol (PubChem CID 134835253) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is [(1R,2S,8S)-5,5-dimethylspiro[4,6-dioxatricyclo[7.2.1.02,8]dodec-10-ene-12,2'-cyclopropane]-1'-yl]methanol.

Molecular Properties

Compound Name[(1R,2S,8S)-5,5-dimethylspiro[4,6-dioxatricyclo[7.2.1.02,8]dodec-10-ene-12,2'-cyclopropane]-1'-yl]methanol
PubChem CID134835253
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Name[(1R,2S,8S)-5,5-dimethylspiro[4,6-dioxatricyclo[7.2.1.02,8]dodec-10-ene-12,2'-cyclopropane]-1'-yl]methanol
SMILESCC1(C)OC[C@H]2[C@H]3C=CC([C@@H]2CO1)C31CC1CO
InChIInChI=1S/C15H22O3/c1-14(2)17-7-10-11(8-18-14)13-4-3-12(10)15(13)5-9(15)6-16/h3-4,9-13,16H,5-8H2,1-2H3/t9?,10-,11-,12-,13?,15?/m1/s1
InChIKeyRHTYHUKVGONBSR-BIQGACQUSA-N
XLogP1.82
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 [(1R,2S,8S)-5,5-dimethylspiro[4,6-dioxatricyclo[7.2.1.02,8]dodec-10-ene-12,2'-cyclopropane]-1'-yl]methanol?
The IUPAC name of [(1R,2S,8S)-5,5-dimethylspiro[4,6-dioxatricyclo[7.2.1.02,8]dodec-10-ene-12,2'-cyclopropane]-1'-yl]methanol (CID 134835253) is [(1R,2S,8S)-5,5-dimethylspiro[4,6-dioxatricyclo[7.2.1.02,8]dodec-10-ene-12,2'-cyclopropane]-1'-yl]methanol.
What is the SMILES notation for [(1R,2S,8S)-5,5-dimethylspiro[4,6-dioxatricyclo[7.2.1.02,8]dodec-10-ene-12,2'-cyclopropane]-1'-yl]methanol?
The canonical SMILES for [(1R,2S,8S)-5,5-dimethylspiro[4,6-dioxatricyclo[7.2.1.02,8]dodec-10-ene-12,2'-cyclopropane]-1'-yl]methanol is CC1(C)OC[C@H]2[C@H]3C=CC([C@@H]2CO1)C31CC1CO.
What is the InChIKey of [(1R,2S,8S)-5,5-dimethylspiro[4,6-dioxatricyclo[7.2.1.02,8]dodec-10-ene-12,2'-cyclopropane]-1'-yl]methanol?
The InChIKey is RHTYHUKVGONBSR-BIQGACQUSA-N. The full InChI is InChI=1S/C15H22O3/c1-14(2)17-7-10-11(8-18-14)13-4-3-12(10)15(13)5-9(15)6-16/h3-4,9-13,16H,5-8H2,1-2H3/t9?,10-,11-,12-,13?,15?/m1/s1.
What are the key properties of [(1R,2S,8S)-5,5-dimethylspiro[4,6-dioxatricyclo[7.2.1.02,8]dodec-10-ene-12,2'-cyclopropane]-1'-yl]methanol?
[(1R,2S,8S)-5,5-dimethylspiro[4,6-dioxatricyclo[7.2.1.02,8]dodec-10-ene-12,2'-cyclopropane]-1'-yl]methanol has a molecular weight of 250.34 g/mol, XLogP of 1.82, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S,8S)-5,5-dimethylspiro[4,6-dioxatricyclo[7.2.1.02,8]dodec-10-ene-12,2'-cyclopropane]-1'-yl]methanol is sourced from PubChem (CID 134835253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).