(6R)-6-[2-(1,3-dioxolan-2-yl)ethyl]-3-ethoxy-5,6-dimethylcyclohex-2-en-1-one

C15H24O4 — CID 134879777

IUPAC(6R)-6-[2-(1,3-dioxolan-2-yl)ethyl]-3-ethoxy-5,6-dimethylcyclohex-2-en-1-one
SMILESCCOC1=CC(=O)[C@](C)(CCC2OCCO2)C(C)C1
InChIInChI=1S/C15H24O4/c1-4-17-12-9-11(2)15(3,13(16)10-12)6-5-14-18-7-8-19-14/h10-11,14H,4-9H2,1-3H3/t11?,15-/m1/s1
InChIKeyNOICVLUAKWLBGN-JOPIAHFSSA-N
MW268.35 g/mol
LogP2.68
Rot. Bonds5

About (6R)-6-[2-(1,3-dioxolan-2-yl)ethyl]-3-ethoxy-5,6-dimethylcyclohex-2-en-1-one

(6R)-6-[2-(1,3-dioxolan-2-yl)ethyl]-3-ethoxy-5,6-dimethylcyclohex-2-en-1-one (PubChem CID 134879777) has the molecular formula C15H24O4 and a molecular weight of 268.35 g/mol. Its IUPAC name is (6R)-6-[2-(1,3-dioxolan-2-yl)ethyl]-3-ethoxy-5,6-dimethylcyclohex-2-en-1-one.

Molecular Properties

Compound Name(6R)-6-[2-(1,3-dioxolan-2-yl)ethyl]-3-ethoxy-5,6-dimethylcyclohex-2-en-1-one
PubChem CID134879777
Molecular FormulaC15H24O4
Molecular Weight268.35 g/mol
Exact Mass268.17
IUPAC Name(6R)-6-[2-(1,3-dioxolan-2-yl)ethyl]-3-ethoxy-5,6-dimethylcyclohex-2-en-1-one
SMILESCCOC1=CC(=O)[C@](C)(CCC2OCCO2)C(C)C1
InChIInChI=1S/C15H24O4/c1-4-17-12-9-11(2)15(3,13(16)10-12)6-5-14-18-7-8-19-14/h10-11,14H,4-9H2,1-3H3/t11?,15-/m1/s1
InChIKeyNOICVLUAKWLBGN-JOPIAHFSSA-N
XLogP2.68
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6R)-6-[2-(1,3-dioxolan-2-yl)ethyl]-3-ethoxy-5,6-dimethylcyclohex-2-en-1-one?
The IUPAC name of (6R)-6-[2-(1,3-dioxolan-2-yl)ethyl]-3-ethoxy-5,6-dimethylcyclohex-2-en-1-one (CID 134879777) is (6R)-6-[2-(1,3-dioxolan-2-yl)ethyl]-3-ethoxy-5,6-dimethylcyclohex-2-en-1-one.
What is the SMILES notation for (6R)-6-[2-(1,3-dioxolan-2-yl)ethyl]-3-ethoxy-5,6-dimethylcyclohex-2-en-1-one?
The canonical SMILES for (6R)-6-[2-(1,3-dioxolan-2-yl)ethyl]-3-ethoxy-5,6-dimethylcyclohex-2-en-1-one is CCOC1=CC(=O)[C@](C)(CCC2OCCO2)C(C)C1.
What is the InChIKey of (6R)-6-[2-(1,3-dioxolan-2-yl)ethyl]-3-ethoxy-5,6-dimethylcyclohex-2-en-1-one?
The InChIKey is NOICVLUAKWLBGN-JOPIAHFSSA-N. The full InChI is InChI=1S/C15H24O4/c1-4-17-12-9-11(2)15(3,13(16)10-12)6-5-14-18-7-8-19-14/h10-11,14H,4-9H2,1-3H3/t11?,15-/m1/s1.
What are the key properties of (6R)-6-[2-(1,3-dioxolan-2-yl)ethyl]-3-ethoxy-5,6-dimethylcyclohex-2-en-1-one?
(6R)-6-[2-(1,3-dioxolan-2-yl)ethyl]-3-ethoxy-5,6-dimethylcyclohex-2-en-1-one has a molecular weight of 268.35 g/mol, XLogP of 2.68, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-[2-(1,3-dioxolan-2-yl)ethyl]-3-ethoxy-5,6-dimethylcyclohex-2-en-1-one is sourced from PubChem (CID 134879777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).