(1R,5R,7S)-9,9-dimethyl-2,10-dioxatricyclo[5.2.1.01,5]decan-8-one

C10H14O3 — CID 10442331

IUPAC(1R,5R,7S)-9,9-dimethyl-2,10-dioxatricyclo[5.2.1.01,5]decan-8-one
SMILESCC1(C)C(=O)[C@@H]2C[C@H]3CCO[C@@]31O2
InChIInChI=1S/C10H14O3/c1-9(2)8(11)7-5-6-3-4-12-10(6,9)13-7/h6-7H,3-5H2,1-2H3/t6-,7+,10-/m1/s1
InChIKeyLFWNLDXVVIUGOE-MATHAZKKSA-N
MW182.22 g/mol
LogP1.12
Rot. Bonds

About (1R,5R,7S)-9,9-dimethyl-2,10-dioxatricyclo[5.2.1.01,5]decan-8-one

(1R,5R,7S)-9,9-dimethyl-2,10-dioxatricyclo[5.2.1.01,5]decan-8-one (PubChem CID 10442331) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is (1R,5R,7S)-9,9-dimethyl-2,10-dioxatricyclo[5.2.1.01,5]decan-8-one.

Molecular Properties

Compound Name(1R,5R,7S)-9,9-dimethyl-2,10-dioxatricyclo[5.2.1.01,5]decan-8-one
PubChem CID10442331
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Name(1R,5R,7S)-9,9-dimethyl-2,10-dioxatricyclo[5.2.1.01,5]decan-8-one
SMILESCC1(C)C(=O)[C@@H]2C[C@H]3CCO[C@@]31O2
InChIInChI=1S/C10H14O3/c1-9(2)8(11)7-5-6-3-4-12-10(6,9)13-7/h6-7H,3-5H2,1-2H3/t6-,7+,10-/m1/s1
InChIKeyLFWNLDXVVIUGOE-MATHAZKKSA-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,5R,7S)-9,9-dimethyl-2,10-dioxatricyclo[5.2.1.01,5]decan-8-one with MolForge

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Related Compounds

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(1R,5S,7R,10S)-10-methyl-2,9-dioxatricyclo[5.3.0.01,5]decan-8-one
CID 11240710
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CID 101246909
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CID 102031109
3-methyl-2-oxatricyclo[3.3.1.03,7]nonan-9-one
CID 85238674
(1R,3R,5R,7R)-3-methyl-2-oxatricyclo[3.3.1.03,7]nonan-9-one
CID 10701998
2,2,3-trimethyltricyclo[3.2.1.03,6]octan-4-one
CID 130037552
(1S,5R,7S)-2-oxa-9-azatricyclo[5.3.0.01,5]decan-8-one
CID 131092096
2-(2-methyl-1,3-dioxolan-2-yl)cyclopentan-1-one
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Frequently Asked Questions

What is the IUPAC name of (1R,5R,7S)-9,9-dimethyl-2,10-dioxatricyclo[5.2.1.01,5]decan-8-one?
The IUPAC name of (1R,5R,7S)-9,9-dimethyl-2,10-dioxatricyclo[5.2.1.01,5]decan-8-one (CID 10442331) is (1R,5R,7S)-9,9-dimethyl-2,10-dioxatricyclo[5.2.1.01,5]decan-8-one.
What is the SMILES notation for (1R,5R,7S)-9,9-dimethyl-2,10-dioxatricyclo[5.2.1.01,5]decan-8-one?
The canonical SMILES for (1R,5R,7S)-9,9-dimethyl-2,10-dioxatricyclo[5.2.1.01,5]decan-8-one is CC1(C)C(=O)[C@@H]2C[C@H]3CCO[C@@]31O2.
What is the InChIKey of (1R,5R,7S)-9,9-dimethyl-2,10-dioxatricyclo[5.2.1.01,5]decan-8-one?
The InChIKey is LFWNLDXVVIUGOE-MATHAZKKSA-N. The full InChI is InChI=1S/C10H14O3/c1-9(2)8(11)7-5-6-3-4-12-10(6,9)13-7/h6-7H,3-5H2,1-2H3/t6-,7+,10-/m1/s1.
What are the key properties of (1R,5R,7S)-9,9-dimethyl-2,10-dioxatricyclo[5.2.1.01,5]decan-8-one?
(1R,5R,7S)-9,9-dimethyl-2,10-dioxatricyclo[5.2.1.01,5]decan-8-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,5R,7S)-9,9-dimethyl-2,10-dioxatricyclo[5.2.1.01,5]decan-8-one is sourced from PubChem (CID 10442331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).