(7'R)-spiro[1,3-dioxolane-2,10'-tricyclo[5.2.1.02,6]deca-4,8-diene]-3'-one

C12H12O3 — CID 134856014

IUPAC(7'R)-spiro[1,3-dioxolane-2,10'-tricyclo[5.2.1.02,6]deca-4,8-diene]-3'-one
SMILESO=C1C=CC2C1C1C=C[C@H]2C12OCCO2
InChIInChI=1S/C12H12O3/c13-10-4-1-7-8-2-3-9(11(7)10)12(8)14-5-6-15-12/h1-4,7-9,11H,5-6H2/t7?,8-,9?,11?/m1/s1
InChIKeyHQKBGTDYJMQTDV-PPMKJDBRSA-N
MW204.22 g/mol
LogP0.92
Rot. Bonds

About (7'R)-spiro[1,3-dioxolane-2,10'-tricyclo[5.2.1.02,6]deca-4,8-diene]-3'-one

(7'R)-spiro[1,3-dioxolane-2,10'-tricyclo[5.2.1.02,6]deca-4,8-diene]-3'-one (PubChem CID 134856014) has the molecular formula C12H12O3 and a molecular weight of 204.22 g/mol. Its IUPAC name is (7'R)-spiro[1,3-dioxolane-2,10'-tricyclo[5.2.1.02,6]deca-4,8-diene]-3'-one.

Molecular Properties

Compound Name(7'R)-spiro[1,3-dioxolane-2,10'-tricyclo[5.2.1.02,6]deca-4,8-diene]-3'-one
PubChem CID134856014
Molecular FormulaC12H12O3
Molecular Weight204.22 g/mol
Exact Mass204.08
IUPAC Name(7'R)-spiro[1,3-dioxolane-2,10'-tricyclo[5.2.1.02,6]deca-4,8-diene]-3'-one
SMILESO=C1C=CC2C1C1C=C[C@H]2C12OCCO2
InChIInChI=1S/C12H12O3/c13-10-4-1-7-8-2-3-9(11(7)10)12(8)14-5-6-15-12/h1-4,7-9,11H,5-6H2/t7?,8-,9?,11?/m1/s1
InChIKeyHQKBGTDYJMQTDV-PPMKJDBRSA-N
XLogP0.92
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.22
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3'aR,6'S,6'aR)-6'-but-3-enylspiro[1,3-dioxolane-2,4'-3a,5,6,6a-tetrahydropentalene]-1'-one
CID 90681904
1',4'-Dibromospiro[1,3-dioxolane-2,10'-tricyclo[5.2.1.0,2,6]decane]-3',8'-dien-5'-one
CID 3657290
(3'aR,6'aR)-spiro[1,3-dioxolane-2,4'-3a,5,6,6a-tetrahydropentalene]-1'-one
CID 11389748
(1'S,2'R,6'S,7'S)-4',7'-dibromospiro[1,3-dioxolane-2,10'-tricyclo[5.2.1.02,6]deca-4,8-diene]-3'-one
CID 10981299
(1'S,7'S)-4',7'-dibromospiro[1,3-dioxolane-2,10'-tricyclo[5.2.1.02,6]deca-4,8-diene]-3'-one
CID 11122003
1-[(3'aS,6'aS)-spiro[1,3-dioxolane-2,4'-3a,5,6,6a-tetrahydro-3H-pentalene]-1'-yl]ethanone
CID 59052984
1-[(3'aR,6'aS)-spiro[1,3-dioxolane-2,6'-3a,4,5,6a-tetrahydro-1H-pentalene]-2'-yl]but-3-en-1-one
CID 135011864
(3'aR,8'aS,8'bR)-spiro[1,3-dioxolane-2,1'-3,3a,6,8,8a,8b-hexahydro-2H-cyclopenta[b]indene]-4',7'-dione
CID 162412471
(3'aR,4'aS,8'aR,8'bR)-spiro[1,3-dioxolane-2,1'-3,3a,4a,8,8a,8b-hexahydro-2H-cyclopenta[b]indene]-4',7'-dione
CID 162412472
(3'aR,6'aR)-5'-bromospiro[1,3-dioxolane-2,4'-3a,5,6,6a-tetrahydropentalene]-1'-one
CID 162412839
Spiro(1,3-dioxolane-2,10'-tricyclo[5.2.1.0~2,6~]deca[4,8]diene)-3'-one
CID 4348551
4',4'-dimethylspiro[1,3-dioxolane-4,5'-6,6a-dihydro-3aH-pentalene]-1'-one
CID 141267487

Frequently Asked Questions

What is the IUPAC name of (7'R)-spiro[1,3-dioxolane-2,10'-tricyclo[5.2.1.02,6]deca-4,8-diene]-3'-one?
The IUPAC name of (7'R)-spiro[1,3-dioxolane-2,10'-tricyclo[5.2.1.02,6]deca-4,8-diene]-3'-one (CID 134856014) is (7'R)-spiro[1,3-dioxolane-2,10'-tricyclo[5.2.1.02,6]deca-4,8-diene]-3'-one.
What is the SMILES notation for (7'R)-spiro[1,3-dioxolane-2,10'-tricyclo[5.2.1.02,6]deca-4,8-diene]-3'-one?
The canonical SMILES for (7'R)-spiro[1,3-dioxolane-2,10'-tricyclo[5.2.1.02,6]deca-4,8-diene]-3'-one is O=C1C=CC2C1C1C=C[C@H]2C12OCCO2.
What is the InChIKey of (7'R)-spiro[1,3-dioxolane-2,10'-tricyclo[5.2.1.02,6]deca-4,8-diene]-3'-one?
The InChIKey is HQKBGTDYJMQTDV-PPMKJDBRSA-N. The full InChI is InChI=1S/C12H12O3/c13-10-4-1-7-8-2-3-9(11(7)10)12(8)14-5-6-15-12/h1-4,7-9,11H,5-6H2/t7?,8-,9?,11?/m1/s1.
What are the key properties of (7'R)-spiro[1,3-dioxolane-2,10'-tricyclo[5.2.1.02,6]deca-4,8-diene]-3'-one?
(7'R)-spiro[1,3-dioxolane-2,10'-tricyclo[5.2.1.02,6]deca-4,8-diene]-3'-one has a molecular weight of 204.22 g/mol, XLogP of 0.92, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7'R)-spiro[1,3-dioxolane-2,10'-tricyclo[5.2.1.02,6]deca-4,8-diene]-3'-one is sourced from PubChem (CID 134856014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).