(1R,8S,10S)-10,11,11-trimethyl-5,7-dioxatricyclo[6.3.0.02,6]undecan-4-one

C12H18O3 — CID 58592214

IUPAC(1R,8S,10S)-10,11,11-trimethyl-5,7-dioxatricyclo[6.3.0.02,6]undecan-4-one
SMILESC[C@H]1C[C@@H]2OC3OC(=O)CC3[C@@H]2C1(C)C
InChIInChI=1S/C12H18O3/c1-6-4-8-10(12(6,2)3)7-5-9(13)15-11(7)14-8/h6-8,10-11H,4-5H2,1-3H3/t6-,7?,8-,10-,11?/m0/s1
InChIKeyCXSMJYPFSHMALA-BCAIYFIWSA-N
MW210.27 g/mol
LogP1.96
Rot. Bonds

About (1R,8S,10S)-10,11,11-trimethyl-5,7-dioxatricyclo[6.3.0.02,6]undecan-4-one

(1R,8S,10S)-10,11,11-trimethyl-5,7-dioxatricyclo[6.3.0.02,6]undecan-4-one (PubChem CID 58592214) has the molecular formula C12H18O3 and a molecular weight of 210.27 g/mol. Its IUPAC name is (1R,8S,10S)-10,11,11-trimethyl-5,7-dioxatricyclo[6.3.0.02,6]undecan-4-one.

Molecular Properties

Compound Name(1R,8S,10S)-10,11,11-trimethyl-5,7-dioxatricyclo[6.3.0.02,6]undecan-4-one
PubChem CID58592214
Molecular FormulaC12H18O3
Molecular Weight210.27 g/mol
Exact Mass210.13
IUPAC Name(1R,8S,10S)-10,11,11-trimethyl-5,7-dioxatricyclo[6.3.0.02,6]undecan-4-one
SMILESC[C@H]1C[C@@H]2OC3OC(=O)CC3[C@@H]2C1(C)C
InChIInChI=1S/C12H18O3/c1-6-4-8-10(12(6,2)3)7-5-9(13)15-11(7)14-8/h6-8,10-11H,4-5H2,1-3H3/t6-,7?,8-,10-,11?/m0/s1
InChIKeyCXSMJYPFSHMALA-BCAIYFIWSA-N
XLogP1.96
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R,8S,10S)-10,11,11-trimethyl-5,7-dioxatricyclo[6.3.0.02,6]undecan-4-one?
The IUPAC name of (1R,8S,10S)-10,11,11-trimethyl-5,7-dioxatricyclo[6.3.0.02,6]undecan-4-one (CID 58592214) is (1R,8S,10S)-10,11,11-trimethyl-5,7-dioxatricyclo[6.3.0.02,6]undecan-4-one.
What is the SMILES notation for (1R,8S,10S)-10,11,11-trimethyl-5,7-dioxatricyclo[6.3.0.02,6]undecan-4-one?
The canonical SMILES for (1R,8S,10S)-10,11,11-trimethyl-5,7-dioxatricyclo[6.3.0.02,6]undecan-4-one is C[C@H]1C[C@@H]2OC3OC(=O)CC3[C@@H]2C1(C)C.
What is the InChIKey of (1R,8S,10S)-10,11,11-trimethyl-5,7-dioxatricyclo[6.3.0.02,6]undecan-4-one?
The InChIKey is CXSMJYPFSHMALA-BCAIYFIWSA-N. The full InChI is InChI=1S/C12H18O3/c1-6-4-8-10(12(6,2)3)7-5-9(13)15-11(7)14-8/h6-8,10-11H,4-5H2,1-3H3/t6-,7?,8-,10-,11?/m0/s1.
What are the key properties of (1R,8S,10S)-10,11,11-trimethyl-5,7-dioxatricyclo[6.3.0.02,6]undecan-4-one?
(1R,8S,10S)-10,11,11-trimethyl-5,7-dioxatricyclo[6.3.0.02,6]undecan-4-one has a molecular weight of 210.27 g/mol, XLogP of 1.96, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,8S,10S)-10,11,11-trimethyl-5,7-dioxatricyclo[6.3.0.02,6]undecan-4-one is sourced from PubChem (CID 58592214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).