(1R,2R,10S)-2,6,6,10-tetramethyl-9,13-dioxatricyclo[8.2.1.02,7]tridec-7-ene

C15H24O2 — CID 11107360

IUPAC(1R,2R,10S)-2,6,6,10-tetramethyl-9,13-dioxatricyclo[8.2.1.02,7]tridec-7-ene
SMILESCC1(C)CCC[C@]2(C)C1=CO[C@]1(C)CC[C@H]2O1
InChIInChI=1S/C15H24O2/c1-13(2)7-5-8-14(3)11(13)10-16-15(4)9-6-12(14)17-15/h10,12H,5-9H2,1-4H3/t12-,14-,15+/m1/s1
InChIKeyHDLBYWIWUOTUBE-YUELXQCFSA-N
MW236.35 g/mol
LogP4.01
Rot. Bonds

About (1R,2R,10S)-2,6,6,10-tetramethyl-9,13-dioxatricyclo[8.2.1.02,7]tridec-7-ene

(1R,2R,10S)-2,6,6,10-tetramethyl-9,13-dioxatricyclo[8.2.1.02,7]tridec-7-ene (PubChem CID 11107360) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is (1R,2R,10S)-2,6,6,10-tetramethyl-9,13-dioxatricyclo[8.2.1.02,7]tridec-7-ene.

Molecular Properties

Compound Name(1R,2R,10S)-2,6,6,10-tetramethyl-9,13-dioxatricyclo[8.2.1.02,7]tridec-7-ene
PubChem CID11107360
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name(1R,2R,10S)-2,6,6,10-tetramethyl-9,13-dioxatricyclo[8.2.1.02,7]tridec-7-ene
SMILESCC1(C)CCC[C@]2(C)C1=CO[C@]1(C)CC[C@H]2O1
InChIInChI=1S/C15H24O2/c1-13(2)7-5-8-14(3)11(13)10-16-15(4)9-6-12(14)17-15/h10,12H,5-9H2,1-4H3/t12-,14-,15+/m1/s1
InChIKeyHDLBYWIWUOTUBE-YUELXQCFSA-N
XLogP4.01
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,2R,10S)-2,6,6,10-tetramethyl-9,13-dioxatricyclo[8.2.1.02,7]tridec-7-ene?
The IUPAC name of (1R,2R,10S)-2,6,6,10-tetramethyl-9,13-dioxatricyclo[8.2.1.02,7]tridec-7-ene (CID 11107360) is (1R,2R,10S)-2,6,6,10-tetramethyl-9,13-dioxatricyclo[8.2.1.02,7]tridec-7-ene.
What is the SMILES notation for (1R,2R,10S)-2,6,6,10-tetramethyl-9,13-dioxatricyclo[8.2.1.02,7]tridec-7-ene?
The canonical SMILES for (1R,2R,10S)-2,6,6,10-tetramethyl-9,13-dioxatricyclo[8.2.1.02,7]tridec-7-ene is CC1(C)CCC[C@]2(C)C1=CO[C@]1(C)CC[C@H]2O1.
What is the InChIKey of (1R,2R,10S)-2,6,6,10-tetramethyl-9,13-dioxatricyclo[8.2.1.02,7]tridec-7-ene?
The InChIKey is HDLBYWIWUOTUBE-YUELXQCFSA-N. The full InChI is InChI=1S/C15H24O2/c1-13(2)7-5-8-14(3)11(13)10-16-15(4)9-6-12(14)17-15/h10,12H,5-9H2,1-4H3/t12-,14-,15+/m1/s1.
What are the key properties of (1R,2R,10S)-2,6,6,10-tetramethyl-9,13-dioxatricyclo[8.2.1.02,7]tridec-7-ene?
(1R,2R,10S)-2,6,6,10-tetramethyl-9,13-dioxatricyclo[8.2.1.02,7]tridec-7-ene has a molecular weight of 236.35 g/mol, XLogP of 4.01, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,10S)-2,6,6,10-tetramethyl-9,13-dioxatricyclo[8.2.1.02,7]tridec-7-ene is sourced from PubChem (CID 11107360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).