(1R,2S,6R,7S)-1,2-dimethyl-4,10-dioxatricyclo[5.2.1.02,6]decan-3-one

C10H14O3 — CID 7096080

IUPAC(1R,2S,6R,7S)-1,2-dimethyl-4,10-dioxatricyclo[5.2.1.02,6]decan-3-one
SMILESC[C@]12CC[C@H](O1)[C@H]1COC(=O)[C@@]12C
InChIInChI=1S/C10H14O3/c1-9-4-3-7(13-9)6-5-12-8(11)10(6,9)2/h6-7H,3-5H2,1-2H3/t6-,7+,9-,10-/m1/s1
InChIKeyORXMQKSILJIKPA-BKFJMODKSA-N
MW182.22 g/mol
LogP1.12
Rot. Bonds

About (1R,2S,6R,7S)-1,2-dimethyl-4,10-dioxatricyclo[5.2.1.02,6]decan-3-one

(1R,2S,6R,7S)-1,2-dimethyl-4,10-dioxatricyclo[5.2.1.02,6]decan-3-one (PubChem CID 7096080) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is (1R,2S,6R,7S)-1,2-dimethyl-4,10-dioxatricyclo[5.2.1.02,6]decan-3-one.

Molecular Properties

Compound Name(1R,2S,6R,7S)-1,2-dimethyl-4,10-dioxatricyclo[5.2.1.02,6]decan-3-one
PubChem CID7096080
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Name(1R,2S,6R,7S)-1,2-dimethyl-4,10-dioxatricyclo[5.2.1.02,6]decan-3-one
SMILESC[C@]12CC[C@H](O1)[C@H]1COC(=O)[C@@]12C
InChIInChI=1S/C10H14O3/c1-9-4-3-7(13-9)6-5-12-8(11)10(6,9)2/h6-7H,3-5H2,1-2H3/t6-,7+,9-,10-/m1/s1
InChIKeyORXMQKSILJIKPA-BKFJMODKSA-N
XLogP1.12
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (1R,2S,6R,7S)-1,2-dimethyl-4,10-dioxatricyclo[5.2.1.02,6]decan-3-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

(1S,2R,6R,7R)-1,2-dimethyl-4,10-dioxatricyclo[5.2.1.02,6]decane-3,5-dione
CID 99945947
(1R,2S,6S,7S)-1,2-dimethyl-4,10-dioxatricyclo[5.2.1.02,6]decane-3,5-dione
CID 9497647
(1S,2R,6S,7R)-1,2-dimethyl-4,10-dioxatricyclo[5.2.1.02,6]decane-3,5-dione
CID 10821706
(1S,4R,6S,10S,12S,15R,17S,21S)-1,6,12,17-tetramethyl-5,8,11,16,19,22-hexaoxapentacyclo[19.1.0.04,6.010,12.015,17]docosane-7,18-dione
CID 10386046
(1R,2S,6R,7S)-2,7-dimethyl-4,10-dioxatricyclo[5.2.1.02,6]decan-3-one
CID 11876871
4-amino-3,3-dimethyloxolan-2-one
CID 59657819
(3aS,7R,7aS)-7-hydroxy-2,2,7-trimethyl-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-one
CID 102026058
(4aR,7R,7aR)-7-hydroxy-7-methyl-1,4,4a,5,6,7a-hexahydrocyclopenta[c]pyran-3-one
CID 10964936
(3aS,3bR,9aR,9bS,11aS)-6-hydroxy-9a,11a-dimethyl-3,3a,3b,4,5,9b,10,11-octahydronaphtho[2,1-e][2]benzofuran-1,7-dione
CID 67742471
(3S,4S)-3,4-dihydroxy-3-methyloxolan-2-one
CID 10997077
(3R,4R)-3-hydroxy-3,4-dimethyloxolan-2-one
CID 97303838
5,5,11,11-tetramethyl-1,3,7,9-tetraoxacyclododecane-4,6,10,12-tetrone
CID 175887369

Frequently Asked Questions

What is the IUPAC name of (1R,2S,6R,7S)-1,2-dimethyl-4,10-dioxatricyclo[5.2.1.02,6]decan-3-one?
The IUPAC name of (1R,2S,6R,7S)-1,2-dimethyl-4,10-dioxatricyclo[5.2.1.02,6]decan-3-one (CID 7096080) is (1R,2S,6R,7S)-1,2-dimethyl-4,10-dioxatricyclo[5.2.1.02,6]decan-3-one.
What is the SMILES notation for (1R,2S,6R,7S)-1,2-dimethyl-4,10-dioxatricyclo[5.2.1.02,6]decan-3-one?
The canonical SMILES for (1R,2S,6R,7S)-1,2-dimethyl-4,10-dioxatricyclo[5.2.1.02,6]decan-3-one is C[C@]12CC[C@H](O1)[C@H]1COC(=O)[C@@]12C.
What is the InChIKey of (1R,2S,6R,7S)-1,2-dimethyl-4,10-dioxatricyclo[5.2.1.02,6]decan-3-one?
The InChIKey is ORXMQKSILJIKPA-BKFJMODKSA-N. The full InChI is InChI=1S/C10H14O3/c1-9-4-3-7(13-9)6-5-12-8(11)10(6,9)2/h6-7H,3-5H2,1-2H3/t6-,7+,9-,10-/m1/s1.
What are the key properties of (1R,2S,6R,7S)-1,2-dimethyl-4,10-dioxatricyclo[5.2.1.02,6]decan-3-one?
(1R,2S,6R,7S)-1,2-dimethyl-4,10-dioxatricyclo[5.2.1.02,6]decan-3-one has a molecular weight of 182.22 g/mol, XLogP of 1.12, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,6R,7S)-1,2-dimethyl-4,10-dioxatricyclo[5.2.1.02,6]decan-3-one is sourced from PubChem (CID 7096080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).