(3aS,6aS)-spiro[3a,6a-dihydrocyclopenta[d][1,3]dioxole-2,1'-cyclopentane]-4-one

C10H12O3 — CID 51357884

IUPAC(3aS,6aS)-spiro[3a,6a-dihydrocyclopenta[d][1,3]dioxole-2,1'-cyclopentane]-4-one
SMILESO=C1C=C[C@@H]2OC3(CCCC3)O[C@H]12
InChIInChI=1S/C10H12O3/c11-7-3-4-8-9(7)13-10(12-8)5-1-2-6-10/h3-4,8-9H,1-2,5-6H2/t8-,9+/m0/s1
InChIKeyUSEVRWFFBXFSAI-DTWKUNHWSA-N
MW180.20 g/mol
LogP1.18
Rot. Bonds

About (3aS,6aS)-spiro[3a,6a-dihydrocyclopenta[d][1,3]dioxole-2,1'-cyclopentane]-4-one

(3aS,6aS)-spiro[3a,6a-dihydrocyclopenta[d][1,3]dioxole-2,1'-cyclopentane]-4-one (PubChem CID 51357884) has the molecular formula C10H12O3 and a molecular weight of 180.20 g/mol. Its IUPAC name is (3aS,6aS)-spiro[3a,6a-dihydrocyclopenta[d][1,3]dioxole-2,1'-cyclopentane]-4-one.

Molecular Properties

Compound Name(3aS,6aS)-spiro[3a,6a-dihydrocyclopenta[d][1,3]dioxole-2,1'-cyclopentane]-4-one
PubChem CID51357884
Molecular FormulaC10H12O3
Molecular Weight180.20 g/mol
Exact Mass180.08
IUPAC Name(3aS,6aS)-spiro[3a,6a-dihydrocyclopenta[d][1,3]dioxole-2,1'-cyclopentane]-4-one
SMILESO=C1C=C[C@@H]2OC3(CCCC3)O[C@H]12
InChIInChI=1S/C10H12O3/c11-7-3-4-8-9(7)13-10(12-8)5-1-2-6-10/h3-4,8-9H,1-2,5-6H2/t8-,9+/m0/s1
InChIKeyUSEVRWFFBXFSAI-DTWKUNHWSA-N
XLogP1.18
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.20
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3aS,6aS)-spiro[3a,6a-dihydrocyclopenta[d][1,3]dioxole-2,1'-cyclopentane]-4-one with MolForge

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Related Compounds

(3aR,6aR)-2,2-dimethyl-2H,3aH,4H,6aH-cyclopenta(d)(1,3)dioxol-4-one
CID 10997245
(3aS,6aS)-3a,6a-dihydro-2,2-dimethyl-4H-cyclopenta-1,3-dioxol-4-one
CID 10154155
2,2-dimethyl-3aH-cyclopenta[d][1,3]dioxol-4(6aH)-one
CID 13700992
5-Fluorospiro[3a,6a-dihydrocyclopenta[d][1,3]dioxole-2,1'-cyclohexane]-4-one
CID 21611262
ethyl (Z)-3-[(4S,5S)-5-acetyl-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoate
CID 11299489
(3aS,6aS)-5-iodospiro[3a,6a-dihydrocyclopenta[d][1,3]dioxole-2,1'-cyclopentane]-4-one
CID 134964849
(3aR,6aR)-6-methoxy-2,2-dimethyl-3a,6a-dihydrocyclopenta[d][1,3]dioxol-4-one
CID 134996476
(1R,2R)-1,2-Dihydroxy-3-cyclopropen-5-one 1,2-Cyclohexyl Ketal
CID 11084740
(3aS,6aS)-2,2,6-trimethyl-3a,6a-dihydrocyclopenta[d][1,3]dioxol-4-one
CID 11147943
(3aR,6aR)-2,2,5-trimethyl-3a,6a-dihydrocyclopenta[d][1,3]dioxol-4-one
CID 11252227
(3aS,6aS)-2,2,5-trimethyl-3a,6a-dihydrocyclopenta[d][1,3]dioxol-4-one
CID 11480669
(3aS,6aS)-spiro[3a,6a-dihydrocyclopenta[d][1,3]dioxole-2,1'-cyclohexane]-4-one
CID 11521235

Frequently Asked Questions

What is the IUPAC name of (3aS,6aS)-spiro[3a,6a-dihydrocyclopenta[d][1,3]dioxole-2,1'-cyclopentane]-4-one?
The IUPAC name of (3aS,6aS)-spiro[3a,6a-dihydrocyclopenta[d][1,3]dioxole-2,1'-cyclopentane]-4-one (CID 51357884) is (3aS,6aS)-spiro[3a,6a-dihydrocyclopenta[d][1,3]dioxole-2,1'-cyclopentane]-4-one.
What is the SMILES notation for (3aS,6aS)-spiro[3a,6a-dihydrocyclopenta[d][1,3]dioxole-2,1'-cyclopentane]-4-one?
The canonical SMILES for (3aS,6aS)-spiro[3a,6a-dihydrocyclopenta[d][1,3]dioxole-2,1'-cyclopentane]-4-one is O=C1C=C[C@@H]2OC3(CCCC3)O[C@H]12.
What is the InChIKey of (3aS,6aS)-spiro[3a,6a-dihydrocyclopenta[d][1,3]dioxole-2,1'-cyclopentane]-4-one?
The InChIKey is USEVRWFFBXFSAI-DTWKUNHWSA-N. The full InChI is InChI=1S/C10H12O3/c11-7-3-4-8-9(7)13-10(12-8)5-1-2-6-10/h3-4,8-9H,1-2,5-6H2/t8-,9+/m0/s1.
What are the key properties of (3aS,6aS)-spiro[3a,6a-dihydrocyclopenta[d][1,3]dioxole-2,1'-cyclopentane]-4-one?
(3aS,6aS)-spiro[3a,6a-dihydrocyclopenta[d][1,3]dioxole-2,1'-cyclopentane]-4-one has a molecular weight of 180.20 g/mol, XLogP of 1.18, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6aS)-spiro[3a,6a-dihydrocyclopenta[d][1,3]dioxole-2,1'-cyclopentane]-4-one is sourced from PubChem (CID 51357884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).