(6S,8R)-9,10-dimethyl-2,7-dioxatricyclo[4.3.1.03,8]decan-5-one

C10H14O3 — CID 139469619

IUPAC(6S,8R)-9,10-dimethyl-2,7-dioxatricyclo[4.3.1.03,8]decan-5-one
SMILESCC1C2OC3CC(=O)[C@@H](O[C@@H]31)C2C
InChIInChI=1S/C10H14O3/c1-4-8-5(2)10-7(12-8)3-6(11)9(4)13-10/h4-5,7-10H,3H2,1-2H3/t4?,5?,7?,8?,9-,10+/m0/s1
InChIKeyKPJJESHSWQJWSY-QTJDODLYSA-N
MW182.22 g/mol
LogP0.77
Rot. Bonds

About (6S,8R)-9,10-dimethyl-2,7-dioxatricyclo[4.3.1.03,8]decan-5-one

(6S,8R)-9,10-dimethyl-2,7-dioxatricyclo[4.3.1.03,8]decan-5-one (PubChem CID 139469619) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is (6S,8R)-9,10-dimethyl-2,7-dioxatricyclo[4.3.1.03,8]decan-5-one.

Molecular Properties

Compound Name(6S,8R)-9,10-dimethyl-2,7-dioxatricyclo[4.3.1.03,8]decan-5-one
PubChem CID139469619
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Name(6S,8R)-9,10-dimethyl-2,7-dioxatricyclo[4.3.1.03,8]decan-5-one
SMILESCC1C2OC3CC(=O)[C@@H](O[C@@H]31)C2C
InChIInChI=1S/C10H14O3/c1-4-8-5(2)10-7(12-8)3-6(11)9(4)13-10/h4-5,7-10H,3H2,1-2H3/t4?,5?,7?,8?,9-,10+/m0/s1
InChIKeyKPJJESHSWQJWSY-QTJDODLYSA-N
XLogP0.77
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 ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6S,8R)-9,10-dimethyl-2,7-dioxatricyclo[4.3.1.03,8]decan-5-one?
The IUPAC name of (6S,8R)-9,10-dimethyl-2,7-dioxatricyclo[4.3.1.03,8]decan-5-one (CID 139469619) is (6S,8R)-9,10-dimethyl-2,7-dioxatricyclo[4.3.1.03,8]decan-5-one.
What is the SMILES notation for (6S,8R)-9,10-dimethyl-2,7-dioxatricyclo[4.3.1.03,8]decan-5-one?
The canonical SMILES for (6S,8R)-9,10-dimethyl-2,7-dioxatricyclo[4.3.1.03,8]decan-5-one is CC1C2OC3CC(=O)[C@@H](O[C@@H]31)C2C.
What is the InChIKey of (6S,8R)-9,10-dimethyl-2,7-dioxatricyclo[4.3.1.03,8]decan-5-one?
The InChIKey is KPJJESHSWQJWSY-QTJDODLYSA-N. The full InChI is InChI=1S/C10H14O3/c1-4-8-5(2)10-7(12-8)3-6(11)9(4)13-10/h4-5,7-10H,3H2,1-2H3/t4?,5?,7?,8?,9-,10+/m0/s1.
What are the key properties of (6S,8R)-9,10-dimethyl-2,7-dioxatricyclo[4.3.1.03,8]decan-5-one?
(6S,8R)-9,10-dimethyl-2,7-dioxatricyclo[4.3.1.03,8]decan-5-one has a molecular weight of 182.22 g/mol, XLogP of 0.77, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S,8R)-9,10-dimethyl-2,7-dioxatricyclo[4.3.1.03,8]decan-5-one is sourced from PubChem (CID 139469619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).