(3S)-3,10-dimethyl-6,9-dioxatricyclo[5.2.1.04,8]decan-5-one

C10H14O3 — CID 130333009

IUPAC(3S)-3,10-dimethyl-6,9-dioxatricyclo[5.2.1.04,8]decan-5-one
SMILESCC1C2C[C@H](C)C3C(=O)OC1C3O2
InChIInChI=1S/C10H14O3/c1-4-3-6-5(2)8-9(12-6)7(4)10(11)13-8/h4-9H,3H2,1-2H3/t4-,5?,6?,7?,8?,9?/m0/s1
InChIKeyMPXMOZZOSJNEQH-SOPLWWRFSA-N
MW182.22 g/mol
LogP0.97
Rot. Bonds

About (3S)-3,10-dimethyl-6,9-dioxatricyclo[5.2.1.04,8]decan-5-one

(3S)-3,10-dimethyl-6,9-dioxatricyclo[5.2.1.04,8]decan-5-one (PubChem CID 130333009) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is (3S)-3,10-dimethyl-6,9-dioxatricyclo[5.2.1.04,8]decan-5-one.

Molecular Properties

Compound Name(3S)-3,10-dimethyl-6,9-dioxatricyclo[5.2.1.04,8]decan-5-one
PubChem CID130333009
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Name(3S)-3,10-dimethyl-6,9-dioxatricyclo[5.2.1.04,8]decan-5-one
SMILESCC1C2C[C@H](C)C3C(=O)OC1C3O2
InChIInChI=1S/C10H14O3/c1-4-3-6-5(2)8-9(12-6)7(4)10(11)13-8/h4-9H,3H2,1-2H3/t4-,5?,6?,7?,8?,9?/m0/s1
InChIKeyMPXMOZZOSJNEQH-SOPLWWRFSA-N
XLogP0.97
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 ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3S)-3,10-dimethyl-6,9-dioxatricyclo[5.2.1.04,8]decan-5-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S)-3,10-dimethyl-6,9-dioxatricyclo[5.2.1.04,8]decan-5-one?
The IUPAC name of (3S)-3,10-dimethyl-6,9-dioxatricyclo[5.2.1.04,8]decan-5-one (CID 130333009) is (3S)-3,10-dimethyl-6,9-dioxatricyclo[5.2.1.04,8]decan-5-one.
What is the SMILES notation for (3S)-3,10-dimethyl-6,9-dioxatricyclo[5.2.1.04,8]decan-5-one?
The canonical SMILES for (3S)-3,10-dimethyl-6,9-dioxatricyclo[5.2.1.04,8]decan-5-one is CC1C2C[C@H](C)C3C(=O)OC1C3O2.
What is the InChIKey of (3S)-3,10-dimethyl-6,9-dioxatricyclo[5.2.1.04,8]decan-5-one?
The InChIKey is MPXMOZZOSJNEQH-SOPLWWRFSA-N. The full InChI is InChI=1S/C10H14O3/c1-4-3-6-5(2)8-9(12-6)7(4)10(11)13-8/h4-9H,3H2,1-2H3/t4-,5?,6?,7?,8?,9?/m0/s1.
What are the key properties of (3S)-3,10-dimethyl-6,9-dioxatricyclo[5.2.1.04,8]decan-5-one?
(3S)-3,10-dimethyl-6,9-dioxatricyclo[5.2.1.04,8]decan-5-one has a molecular weight of 182.22 g/mol, XLogP of 0.97, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3,10-dimethyl-6,9-dioxatricyclo[5.2.1.04,8]decan-5-one is sourced from PubChem (CID 130333009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).