(4S)-4-methoxy-5,7-dimethyl-2,9-dioxabicyclo[4.2.1]nonan-3-one

C10H16O4 — CID 118888800

IUPAC(4S)-4-methoxy-5,7-dimethyl-2,9-dioxabicyclo[4.2.1]nonan-3-one
SMILESCO[C@@H]1C(=O)OC2CC(C)C(O2)C1C
InChIInChI=1S/C10H16O4/c1-5-4-7-13-8(5)6(2)9(12-3)10(11)14-7/h5-9H,4H2,1-3H3/t5?,6?,7?,8?,9-/m0/s1
InChIKeySVVOUUDETLBPPR-XOBOAYSZSA-N
MW200.23 g/mol
LogP0.95
Rot. Bonds1

About (4S)-4-methoxy-5,7-dimethyl-2,9-dioxabicyclo[4.2.1]nonan-3-one

(4S)-4-methoxy-5,7-dimethyl-2,9-dioxabicyclo[4.2.1]nonan-3-one (PubChem CID 118888800) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is (4S)-4-methoxy-5,7-dimethyl-2,9-dioxabicyclo[4.2.1]nonan-3-one.

Molecular Properties

Compound Name(4S)-4-methoxy-5,7-dimethyl-2,9-dioxabicyclo[4.2.1]nonan-3-one
PubChem CID118888800
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Name(4S)-4-methoxy-5,7-dimethyl-2,9-dioxabicyclo[4.2.1]nonan-3-one
SMILESCO[C@@H]1C(=O)OC2CC(C)C(O2)C1C
InChIInChI=1S/C10H16O4/c1-5-4-7-13-8(5)6(2)9(12-3)10(11)14-7/h5-9H,4H2,1-3H3/t5?,6?,7?,8?,9-/m0/s1
InChIKeySVVOUUDETLBPPR-XOBOAYSZSA-N
XLogP0.95
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-methoxy-5,7-dimethyl-2,9-dioxabicyclo[4.2.1]nonan-3-one?
The IUPAC name of (4S)-4-methoxy-5,7-dimethyl-2,9-dioxabicyclo[4.2.1]nonan-3-one (CID 118888800) is (4S)-4-methoxy-5,7-dimethyl-2,9-dioxabicyclo[4.2.1]nonan-3-one.
What is the SMILES notation for (4S)-4-methoxy-5,7-dimethyl-2,9-dioxabicyclo[4.2.1]nonan-3-one?
The canonical SMILES for (4S)-4-methoxy-5,7-dimethyl-2,9-dioxabicyclo[4.2.1]nonan-3-one is CO[C@@H]1C(=O)OC2CC(C)C(O2)C1C.
What is the InChIKey of (4S)-4-methoxy-5,7-dimethyl-2,9-dioxabicyclo[4.2.1]nonan-3-one?
The InChIKey is SVVOUUDETLBPPR-XOBOAYSZSA-N. The full InChI is InChI=1S/C10H16O4/c1-5-4-7-13-8(5)6(2)9(12-3)10(11)14-7/h5-9H,4H2,1-3H3/t5?,6?,7?,8?,9-/m0/s1.
What are the key properties of (4S)-4-methoxy-5,7-dimethyl-2,9-dioxabicyclo[4.2.1]nonan-3-one?
(4S)-4-methoxy-5,7-dimethyl-2,9-dioxabicyclo[4.2.1]nonan-3-one has a molecular weight of 200.23 g/mol, XLogP of 0.95, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-methoxy-5,7-dimethyl-2,9-dioxabicyclo[4.2.1]nonan-3-one is sourced from PubChem (CID 118888800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).