(6R)-3-[2-(1,3-dioxan-2-yl)ethyl]-6-methylcyclohex-2-en-1-one

C13H20O3 — CID 138532029

IUPAC(6R)-3-[2-(1,3-dioxan-2-yl)ethyl]-6-methylcyclohex-2-en-1-one
SMILESC[C@@H]1CCC(CCC2OCCCO2)=CC1=O
InChIInChI=1S/C13H20O3/c1-10-3-4-11(9-12(10)14)5-6-13-15-7-2-8-16-13/h9-10,13H,2-8H2,1H3/t10-/m1/s1
InChIKeySRBFXXMKRVMBLV-SNVBAGLBSA-N
MW224.30 g/mol
LogP2.45
Rot. Bonds3

About (6R)-3-[2-(1,3-dioxan-2-yl)ethyl]-6-methylcyclohex-2-en-1-one

(6R)-3-[2-(1,3-dioxan-2-yl)ethyl]-6-methylcyclohex-2-en-1-one (PubChem CID 138532029) has the molecular formula C13H20O3 and a molecular weight of 224.30 g/mol. Its IUPAC name is (6R)-3-[2-(1,3-dioxan-2-yl)ethyl]-6-methylcyclohex-2-en-1-one.

Molecular Properties

Compound Name(6R)-3-[2-(1,3-dioxan-2-yl)ethyl]-6-methylcyclohex-2-en-1-one
PubChem CID138532029
Molecular FormulaC13H20O3
Molecular Weight224.30 g/mol
Exact Mass224.14
IUPAC Name(6R)-3-[2-(1,3-dioxan-2-yl)ethyl]-6-methylcyclohex-2-en-1-one
SMILESC[C@@H]1CCC(CCC2OCCCO2)=CC1=O
InChIInChI=1S/C13H20O3/c1-10-3-4-11(9-12(10)14)5-6-13-15-7-2-8-16-13/h9-10,13H,2-8H2,1H3/t10-/m1/s1
InChIKeySRBFXXMKRVMBLV-SNVBAGLBSA-N
XLogP2.45
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6R)-3-[2-(1,3-dioxan-2-yl)ethyl]-6-methylcyclohex-2-en-1-one?
The IUPAC name of (6R)-3-[2-(1,3-dioxan-2-yl)ethyl]-6-methylcyclohex-2-en-1-one (CID 138532029) is (6R)-3-[2-(1,3-dioxan-2-yl)ethyl]-6-methylcyclohex-2-en-1-one.
What is the SMILES notation for (6R)-3-[2-(1,3-dioxan-2-yl)ethyl]-6-methylcyclohex-2-en-1-one?
The canonical SMILES for (6R)-3-[2-(1,3-dioxan-2-yl)ethyl]-6-methylcyclohex-2-en-1-one is C[C@@H]1CCC(CCC2OCCCO2)=CC1=O.
What is the InChIKey of (6R)-3-[2-(1,3-dioxan-2-yl)ethyl]-6-methylcyclohex-2-en-1-one?
The InChIKey is SRBFXXMKRVMBLV-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H20O3/c1-10-3-4-11(9-12(10)14)5-6-13-15-7-2-8-16-13/h9-10,13H,2-8H2,1H3/t10-/m1/s1.
What are the key properties of (6R)-3-[2-(1,3-dioxan-2-yl)ethyl]-6-methylcyclohex-2-en-1-one?
(6R)-3-[2-(1,3-dioxan-2-yl)ethyl]-6-methylcyclohex-2-en-1-one has a molecular weight of 224.30 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-3-[2-(1,3-dioxan-2-yl)ethyl]-6-methylcyclohex-2-en-1-one is sourced from PubChem (CID 138532029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).