5,5-dimethyl-4H-cyclopenta[b]furan-6-one

C9H10O2 — CID 112714113

IUPAC5,5-dimethyl-4H-cyclopenta[b]furan-6-one
SMILESCC1(C)Cc2ccoc2C1=O
InChIInChI=1S/C9H10O2/c1-9(2)5-6-3-4-11-7(6)8(9)10/h3-4H,5H2,1-2H3
InChIKeyXZSJLAFZHNITNO-UHFFFAOYSA-N
MW150.18 g/mol
LogP2.04
Rot. Bonds

About 5,5-dimethyl-4H-cyclopenta[b]furan-6-one

5,5-dimethyl-4H-cyclopenta[b]furan-6-one (PubChem CID 112714113) has the molecular formula C9H10O2 and a molecular weight of 150.18 g/mol. Its IUPAC name is 5,5-dimethyl-4H-cyclopenta[b]furan-6-one.

Molecular Properties

Compound Name5,5-dimethyl-4H-cyclopenta[b]furan-6-one
PubChem CID112714113
Molecular FormulaC9H10O2
Molecular Weight150.18 g/mol
Exact Mass150.07
IUPAC Name5,5-dimethyl-4H-cyclopenta[b]furan-6-one
SMILESCC1(C)Cc2ccoc2C1=O
InChIInChI=1S/C9H10O2/c1-9(2)5-6-3-4-11-7(6)8(9)10/h3-4H,5H2,1-2H3
InChIKeyXZSJLAFZHNITNO-UHFFFAOYSA-N
XLogP2.04
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,5,5-trimethyl-4H-cyclopenta[b]furan-6-one
CID 112714246
(5aS,8aR)-8a-methyl-5,5a,6,7-tetrahydro-4H-cyclopenta[g][1]benzofuran-8-one
CID 101207664
3,3,8,8,15,15,20,20-octamethyltricyclo[20.2.2.210,13]octacosa-1(25),10,12,22(26),23,27-hexaene-4,5,6,7,16,17,18,19-octone
CID 11490337
10-methyl-8-methylidene-6-oxa-1-azatetracyclo[8.7.0.03,7.011,16]heptadeca-3(7),4,11,13,15-pentaen-17-one
CID 15417705
5-methoxy-2,2-dimethyl-3H-inden-1-one
CID 10330158
4,5,6,7-tetrahydrofuro[2,3-d]azepin-8-one
CID 82417389
5,5-dioxo-4H-furo[2,3-d]thiazin-7-one
CID 130817060
(6aS)-6a-methyl-4,5,6,7,8,9a-hexahydroazuleno[8,7-b]furan-9-one
CID 135039054
2-(3-bromofuran-2-yl)-1,3-dihydroinden-2-ol
CID 63950629
6,6-dimethyl-5H-thieno[2,3-b]pyran-4-one
CID 19100985
(5aR,7R,9aS)-9a-methyl-7-prop-1-en-2-yl-4,5,5a,6,7,8-hexahydrobenzo[g][1]benzofuran-9-one
CID 11230293
4,7-difluoro-2,2-dimethyl-3H-inden-1-one
CID 55265518

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-4H-cyclopenta[b]furan-6-one?
The IUPAC name of 5,5-dimethyl-4H-cyclopenta[b]furan-6-one (CID 112714113) is 5,5-dimethyl-4H-cyclopenta[b]furan-6-one.
What is the SMILES notation for 5,5-dimethyl-4H-cyclopenta[b]furan-6-one?
The canonical SMILES for 5,5-dimethyl-4H-cyclopenta[b]furan-6-one is CC1(C)Cc2ccoc2C1=O.
What is the InChIKey of 5,5-dimethyl-4H-cyclopenta[b]furan-6-one?
The InChIKey is XZSJLAFZHNITNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O2/c1-9(2)5-6-3-4-11-7(6)8(9)10/h3-4H,5H2,1-2H3.
What are the key properties of 5,5-dimethyl-4H-cyclopenta[b]furan-6-one?
5,5-dimethyl-4H-cyclopenta[b]furan-6-one has a molecular weight of 150.18 g/mol, XLogP of 2.04, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-4H-cyclopenta[b]furan-6-one is sourced from PubChem (CID 112714113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).