1,5,5,8-tetramethyl-12-oxabicyclo[9.1.0]dodec-7-ene-4,6-diol

C15H26O3 — CID 162946940

IUPAC1,5,5,8-tetramethyl-12-oxabicyclo[9.1.0]dodec-7-ene-4,6-diol
SMILESCC1=CC(O)C(C)(C)C(O)CCC2(C)OC2CC1
InChIInChI=1S/C15H26O3/c1-10-5-6-13-15(4,18-13)8-7-11(16)14(2,3)12(17)9-10/h9,11-13,16-17H,5-8H2,1-4H3
InChIKeyIMBAYQQNSVAVMY-UHFFFAOYSA-N
MW254.37 g/mol
LogP2.41
Rot. Bonds

About 1,5,5,8-tetramethyl-12-oxabicyclo[9.1.0]dodec-7-ene-4,6-diol

1,5,5,8-tetramethyl-12-oxabicyclo[9.1.0]dodec-7-ene-4,6-diol (PubChem CID 162946940) has the molecular formula C15H26O3 and a molecular weight of 254.37 g/mol. Its IUPAC name is 1,5,5,8-tetramethyl-12-oxabicyclo[9.1.0]dodec-7-ene-4,6-diol.

Molecular Properties

Compound Name1,5,5,8-tetramethyl-12-oxabicyclo[9.1.0]dodec-7-ene-4,6-diol
PubChem CID162946940
Molecular FormulaC15H26O3
Molecular Weight254.37 g/mol
Exact Mass254.19
IUPAC Name1,5,5,8-tetramethyl-12-oxabicyclo[9.1.0]dodec-7-ene-4,6-diol
SMILESCC1=CC(O)C(C)(C)C(O)CCC2(C)OC2CC1
InChIInChI=1S/C15H26O3/c1-10-5-6-13-15(4,18-13)8-7-11(16)14(2,3)12(17)9-10/h9,11-13,16-17H,5-8H2,1-4H3
InChIKeyIMBAYQQNSVAVMY-UHFFFAOYSA-N
XLogP2.41
TPSA52.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(1R,4S,6S,7Z,11S)-6-acetyloxy-1,5,5,8-tetramethyl-12-oxabicyclo[9.1.0]dodec-7-en-4-yl] acetate
CID 162914606
(1R,4Z,8Z,12S)-1,5,9-trimethyl-13-oxabicyclo[10.1.0]trideca-4,8-diene
CID 93481800
(4Z)-1,5,9-trimethyl-13-oxabicyclo[10.1.0]trideca-4,8-diene
CID 139596542
(9Z)-4,9-dimethyl-14-methylidene-5,12-dioxatricyclo[9.3.0.04,6]tetradec-9-en-13-one
CID 101282035
4,8,13,18-tetramethyl-9,16,19-trioxatetracyclo[13.4.0.01,18.08,10]nonadeca-4,13-dien-17-ol
CID 75954571
(1S,4E,6R,8R,9E,11S,14S)-8-methoxy-4,8,14-trimethyl-11-propan-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,9-dien-6-ol
CID 71727085
1,6,12-trimethyl-9-prop-1-en-2-yl-5,16-dioxatricyclo[13.1.0.04,6]hexadeca-9,11-dien-8-ol
CID 162800845
(1S,6S,8R,15R)-3,8,12-trimethyl-16-methylidene-7,18-dioxatricyclo[13.3.0.06,8]octadeca-2,11-dien-15-ol
CID 162869434
(9Z)-4,12,12-trimethyl-5-oxatricyclo[9.1.0.04,6]dodec-9-ene-9-carboxylic acid
CID 146116244
(10,14-dimethyl-7-prop-1-en-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,10-dien-4-yl)methanol
CID 75033990
(1R,4S,6R,9E,11R)-4,12,12-trimethyl-5-oxatricyclo[9.1.0.04,6]dodec-9-ene-9-carbaldehyde
CID 162901163
(1R,4R,6S,9E,11R)-4,12,12-trimethyl-5-oxatricyclo[9.1.0.04,6]dodec-9-ene-9-carbaldehyde
CID 102056661

Frequently Asked Questions

What is the IUPAC name of 1,5,5,8-tetramethyl-12-oxabicyclo[9.1.0]dodec-7-ene-4,6-diol?
The IUPAC name of 1,5,5,8-tetramethyl-12-oxabicyclo[9.1.0]dodec-7-ene-4,6-diol (CID 162946940) is 1,5,5,8-tetramethyl-12-oxabicyclo[9.1.0]dodec-7-ene-4,6-diol.
What is the SMILES notation for 1,5,5,8-tetramethyl-12-oxabicyclo[9.1.0]dodec-7-ene-4,6-diol?
The canonical SMILES for 1,5,5,8-tetramethyl-12-oxabicyclo[9.1.0]dodec-7-ene-4,6-diol is CC1=CC(O)C(C)(C)C(O)CCC2(C)OC2CC1.
What is the InChIKey of 1,5,5,8-tetramethyl-12-oxabicyclo[9.1.0]dodec-7-ene-4,6-diol?
The InChIKey is IMBAYQQNSVAVMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O3/c1-10-5-6-13-15(4,18-13)8-7-11(16)14(2,3)12(17)9-10/h9,11-13,16-17H,5-8H2,1-4H3.
What are the key properties of 1,5,5,8-tetramethyl-12-oxabicyclo[9.1.0]dodec-7-ene-4,6-diol?
1,5,5,8-tetramethyl-12-oxabicyclo[9.1.0]dodec-7-ene-4,6-diol has a molecular weight of 254.37 g/mol, XLogP of 2.41, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5,5,8-tetramethyl-12-oxabicyclo[9.1.0]dodec-7-ene-4,6-diol is sourced from PubChem (CID 162946940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).