(2S)-2-tert-butyl-6,7-dihydro-5H-cyclopenta[d][1,3]dioxin-4-one

C11H16O3 — CID 14382704

IUPAC(2S)-2-tert-butyl-6,7-dihydro-5H-cyclopenta[d][1,3]dioxin-4-one
SMILESCC(C)(C)[C@@H]1OC(=O)C2=C(CCC2)O1
InChIInChI=1S/C11H16O3/c1-11(2,3)10-13-8-6-4-5-7(8)9(12)14-10/h10H,4-6H2,1-3H3/t10-/m0/s1
InChIKeyJWCSPGBLTIYTMB-JTQLQIEISA-N
MW196.25 g/mol
LogP2.37
Rot. Bonds

About (2S)-2-tert-butyl-6,7-dihydro-5H-cyclopenta[d][1,3]dioxin-4-one

(2S)-2-tert-butyl-6,7-dihydro-5H-cyclopenta[d][1,3]dioxin-4-one (PubChem CID 14382704) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is (2S)-2-tert-butyl-6,7-dihydro-5H-cyclopenta[d][1,3]dioxin-4-one.

Molecular Properties

Compound Name(2S)-2-tert-butyl-6,7-dihydro-5H-cyclopenta[d][1,3]dioxin-4-one
PubChem CID14382704
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Name(2S)-2-tert-butyl-6,7-dihydro-5H-cyclopenta[d][1,3]dioxin-4-one
SMILESCC(C)(C)[C@@H]1OC(=O)C2=C(CCC2)O1
InChIInChI=1S/C11H16O3/c1-11(2,3)10-13-8-6-4-5-7(8)9(12)14-10/h10H,4-6H2,1-3H3/t10-/m0/s1
InChIKeyJWCSPGBLTIYTMB-JTQLQIEISA-N
XLogP2.37
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-6,7-dihydro-5H-cyclopenta[d][1,3]dioxin-4-one
CID 54249415
2,2-dimethyl-6,7-dihydro-5H-cyclopenta[d][1,3]dioxin-4-one
CID 54537833
Ethyl 2-ethoxycyclopent-1-ene-1-carboxylate
CID 12448915
2-(trichloromethyl)-6,7-dihydro-5H-cyclopenta[d][1,3]dioxin-4-one
CID 117060174
Ethyl 2-(methoxymethoxy)cyclohexene-1-carboxylate
CID 131851758
3-Ethoxy-5,6-dimethyl-4,7-dihydro-2-benzofuran-1(3h)-one
CID 132281305
2-ethyl-2-methyl-6,7-dihydro-5H-cyclopenta[d][1,3]dioxin-4-one
CID 134919469
2-methyl-6,7-dihydro-5H-cyclopenta[d][1,3]dioxin-4-one
CID 134919691
ethyl (2Z)-2-[1-(methoxymethoxy)ethylidene]hexanoate
CID 134932836
Ethyl 2-(methoxymethoxy)cyclopentene-1-carboxylate
CID 134986294
2-tert-butyl-6,7-dihydro-5H-cyclopenta[d][1,3]dioxin-4-one
CID 573789
2-tert-Butyl-5,6,7,8-tetrahydro-4H-1,3-benzodioxin-4-one
CID 580606

Frequently Asked Questions

What is the IUPAC name of (2S)-2-tert-butyl-6,7-dihydro-5H-cyclopenta[d][1,3]dioxin-4-one?
The IUPAC name of (2S)-2-tert-butyl-6,7-dihydro-5H-cyclopenta[d][1,3]dioxin-4-one (CID 14382704) is (2S)-2-tert-butyl-6,7-dihydro-5H-cyclopenta[d][1,3]dioxin-4-one.
What is the SMILES notation for (2S)-2-tert-butyl-6,7-dihydro-5H-cyclopenta[d][1,3]dioxin-4-one?
The canonical SMILES for (2S)-2-tert-butyl-6,7-dihydro-5H-cyclopenta[d][1,3]dioxin-4-one is CC(C)(C)[C@@H]1OC(=O)C2=C(CCC2)O1.
What is the InChIKey of (2S)-2-tert-butyl-6,7-dihydro-5H-cyclopenta[d][1,3]dioxin-4-one?
The InChIKey is JWCSPGBLTIYTMB-JTQLQIEISA-N. The full InChI is InChI=1S/C11H16O3/c1-11(2,3)10-13-8-6-4-5-7(8)9(12)14-10/h10H,4-6H2,1-3H3/t10-/m0/s1.
What are the key properties of (2S)-2-tert-butyl-6,7-dihydro-5H-cyclopenta[d][1,3]dioxin-4-one?
(2S)-2-tert-butyl-6,7-dihydro-5H-cyclopenta[d][1,3]dioxin-4-one has a molecular weight of 196.25 g/mol, XLogP of 2.37, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-tert-butyl-6,7-dihydro-5H-cyclopenta[d][1,3]dioxin-4-one is sourced from PubChem (CID 14382704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).