(1R)-2,3,5,9-tetramethyl-11,12-dioxatricyclo[7.2.1.01,6]dodeca-2,5-dien-4-one

C14H18O3 — CID 70520022

IUPAC(1R)-2,3,5,9-tetramethyl-11,12-dioxatricyclo[7.2.1.01,6]dodeca-2,5-dien-4-one
SMILESCC1=C(C)[C@]23OCC(C)(CCC2=C(C)C1=O)O3
InChIInChI=1S/C14H18O3/c1-8-10(3)14-11(9(2)12(8)15)5-6-13(4,17-14)7-16-14/h5-7H2,1-4H3/t13?,14-/m1/s1
InChIKeyRCPZPIDNISPTJW-ARLHGKGLSA-N
MW234.29 g/mol
LogP2.52
Rot. Bonds

About (1R)-2,3,5,9-tetramethyl-11,12-dioxatricyclo[7.2.1.01,6]dodeca-2,5-dien-4-one

(1R)-2,3,5,9-tetramethyl-11,12-dioxatricyclo[7.2.1.01,6]dodeca-2,5-dien-4-one (PubChem CID 70520022) has the molecular formula C14H18O3 and a molecular weight of 234.29 g/mol. Its IUPAC name is (1R)-2,3,5,9-tetramethyl-11,12-dioxatricyclo[7.2.1.01,6]dodeca-2,5-dien-4-one.

Molecular Properties

Compound Name(1R)-2,3,5,9-tetramethyl-11,12-dioxatricyclo[7.2.1.01,6]dodeca-2,5-dien-4-one
PubChem CID70520022
Molecular FormulaC14H18O3
Molecular Weight234.29 g/mol
Exact Mass234.13
IUPAC Name(1R)-2,3,5,9-tetramethyl-11,12-dioxatricyclo[7.2.1.01,6]dodeca-2,5-dien-4-one
SMILESCC1=C(C)[C@]23OCC(C)(CCC2=C(C)C1=O)O3
InChIInChI=1S/C14H18O3/c1-8-10(3)14-11(9(2)12(8)15)5-6-13(4,17-14)7-16-14/h5-7H2,1-4H3/t13?,14-/m1/s1
InChIKeyRCPZPIDNISPTJW-ARLHGKGLSA-N
XLogP2.52
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (1R)-2,3,5,9-tetramethyl-11,12-dioxatricyclo[7.2.1.01,6]dodeca-2,5-dien-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S,9aR)-(-)-2,3,4,5,7,9a-hexahydro-5-hydroxy-3,6,8,9-tetramethyl-3,9a-epoxy-1-benzoxepin-7-one
CID 57010753
(1R,9S)-2,3,5,9-tetramethyl-11,12-dioxatricyclo[7.2.1.01,6]dodeca-2,5-dien-4-one
CID 56610776
(2R)-8a-methoxy-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-one
CID 58771203
2,3,5-Trimethyl-11,12-dioxatricyclo[7.2.1.01,6]dodeca-2,5-dien-4-one
CID 163759689
(1R,9S)-9-methyl-11,12-dioxatricyclo[7.2.1.01,6]dodeca-2,5-dien-4-one
CID 10726400
8a-Methoxy-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-one
CID 14058462
9-Methyl-11,12-dioxatricyclo[7.2.1.01,6]dodeca-2,5-dien-4-one
CID 23243477
(1R,7S,9R)-7-ethenyl-3,10,10-trimethyl-11,12-dioxatricyclo[7.2.1.01,6]dodeca-2,5-dien-4-one
CID 56957690
(9R)-2,3,5,9-tetramethyl-11,12-dioxatricyclo[7.2.1.01,6]dodeca-2,5-dien-4-one
CID 132545348

Frequently Asked Questions

What is the IUPAC name of (1R)-2,3,5,9-tetramethyl-11,12-dioxatricyclo[7.2.1.01,6]dodeca-2,5-dien-4-one?
The IUPAC name of (1R)-2,3,5,9-tetramethyl-11,12-dioxatricyclo[7.2.1.01,6]dodeca-2,5-dien-4-one (CID 70520022) is (1R)-2,3,5,9-tetramethyl-11,12-dioxatricyclo[7.2.1.01,6]dodeca-2,5-dien-4-one.
What is the SMILES notation for (1R)-2,3,5,9-tetramethyl-11,12-dioxatricyclo[7.2.1.01,6]dodeca-2,5-dien-4-one?
The canonical SMILES for (1R)-2,3,5,9-tetramethyl-11,12-dioxatricyclo[7.2.1.01,6]dodeca-2,5-dien-4-one is CC1=C(C)[C@]23OCC(C)(CCC2=C(C)C1=O)O3.
What is the InChIKey of (1R)-2,3,5,9-tetramethyl-11,12-dioxatricyclo[7.2.1.01,6]dodeca-2,5-dien-4-one?
The InChIKey is RCPZPIDNISPTJW-ARLHGKGLSA-N. The full InChI is InChI=1S/C14H18O3/c1-8-10(3)14-11(9(2)12(8)15)5-6-13(4,17-14)7-16-14/h5-7H2,1-4H3/t13?,14-/m1/s1.
What are the key properties of (1R)-2,3,5,9-tetramethyl-11,12-dioxatricyclo[7.2.1.01,6]dodeca-2,5-dien-4-one?
(1R)-2,3,5,9-tetramethyl-11,12-dioxatricyclo[7.2.1.01,6]dodeca-2,5-dien-4-one has a molecular weight of 234.29 g/mol, XLogP of 2.52, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2,3,5,9-tetramethyl-11,12-dioxatricyclo[7.2.1.01,6]dodeca-2,5-dien-4-one is sourced from PubChem (CID 70520022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).