5-propan-2-ylidene-3a,4,6,6a-tetrahydro-1H-cyclopenta[c]furan-3-one

C10H14O2 — CID 597122

IUPAC5-propan-2-ylidene-3a,4,6,6a-tetrahydro-1H-cyclopenta[c]furan-3-one
SMILESCC(C)=C1CC2COC(=O)C2C1
InChIInChI=1S/C10H14O2/c1-6(2)7-3-8-5-12-10(11)9(8)4-7/h8-9H,3-5H2,1-2H3
InChIKeyIVYDIVCCCIIKDZ-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.91
Rot. Bonds

About 5-propan-2-ylidene-3a,4,6,6a-tetrahydro-1H-cyclopenta[c]furan-3-one

5-propan-2-ylidene-3a,4,6,6a-tetrahydro-1H-cyclopenta[c]furan-3-one (PubChem CID 597122) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is 5-propan-2-ylidene-3a,4,6,6a-tetrahydro-1H-cyclopenta[c]furan-3-one.

Molecular Properties

Compound Name5-propan-2-ylidene-3a,4,6,6a-tetrahydro-1H-cyclopenta[c]furan-3-one
PubChem CID597122
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name5-propan-2-ylidene-3a,4,6,6a-tetrahydro-1H-cyclopenta[c]furan-3-one
SMILESCC(C)=C1CC2COC(=O)C2C1
InChIInChI=1S/C10H14O2/c1-6(2)7-3-8-5-12-10(11)9(8)4-7/h8-9H,3-5H2,1-2H3
InChIKeyIVYDIVCCCIIKDZ-UHFFFAOYSA-N
XLogP1.91
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Ethyl (2R)-2-methyl-5-(propan-2-ylidene)cyclopentane-1-carboxylate
CID 11830361
(2aR,7aS,7bR)-5-Methyl-3,4,6,7,7a,7b-hexahydro-2aH-indeno[1,7-bc]furan-2-one
CID 25241851
5,6-Dimethyl-5-norbornene-2,3-dicarboxylic anhydride
CID 54571393
5-Methylene-tetrahydro-cyclopenta[c]furan-1,3-dione
CID 556384
3-Oxabicyclo[3.3.0]octan-2-one, 6-methylene
CID 556708
3-Oxabicyclo[3.3.0]octan-2-one, 7-methylene-
CID 564525
4-(6-Methylhept-5-en-2-yl)oxolan-2-one
CID 139257463
Methyl pulegenate
CID 11830067
3-Oxabicyclo[3.3.0]octan-2-one, 6-methylene-7-methyl-
CID 556538
3-Oxabicyclo[3.3.0]octan-2-one, 7-isopropylidene-4-methoxy-, trans-
CID 564659
1,2-Cyclopentanedicarboxylic acid, 4-(1-methylethylidene)-, diethyl ester, trans-
CID 572438
Cyclopentanecarboxylic acid, 4-isopropylidene-2-methoxymethyl-, methyl ester
CID 577956

Frequently Asked Questions

What is the IUPAC name of 5-propan-2-ylidene-3a,4,6,6a-tetrahydro-1H-cyclopenta[c]furan-3-one?
The IUPAC name of 5-propan-2-ylidene-3a,4,6,6a-tetrahydro-1H-cyclopenta[c]furan-3-one (CID 597122) is 5-propan-2-ylidene-3a,4,6,6a-tetrahydro-1H-cyclopenta[c]furan-3-one.
What is the SMILES notation for 5-propan-2-ylidene-3a,4,6,6a-tetrahydro-1H-cyclopenta[c]furan-3-one?
The canonical SMILES for 5-propan-2-ylidene-3a,4,6,6a-tetrahydro-1H-cyclopenta[c]furan-3-one is CC(C)=C1CC2COC(=O)C2C1.
What is the InChIKey of 5-propan-2-ylidene-3a,4,6,6a-tetrahydro-1H-cyclopenta[c]furan-3-one?
The InChIKey is IVYDIVCCCIIKDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2/c1-6(2)7-3-8-5-12-10(11)9(8)4-7/h8-9H,3-5H2,1-2H3.
What are the key properties of 5-propan-2-ylidene-3a,4,6,6a-tetrahydro-1H-cyclopenta[c]furan-3-one?
5-propan-2-ylidene-3a,4,6,6a-tetrahydro-1H-cyclopenta[c]furan-3-one has a molecular weight of 166.22 g/mol, XLogP of 1.91, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-ylidene-3a,4,6,6a-tetrahydro-1H-cyclopenta[c]furan-3-one is sourced from PubChem (CID 597122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).