CID 135045829

C12H10O2 — CID 135045829

IUPAC—
SMILESCOC(=O)C1=C2[C](C[C]1)[C]1C=C[C@@H]2C1
InChIInChI=1S/C12H10O2/c1-14-12(13)10-5-4-9-7-2-3-8(6-7)11(9)10/h2-3,8H,4,6H2,1H3/t8-/m1/s1
InChIKeyQWLQVCBGOYVUFY-MRVPVSSYSA-N
MW186.21 g/mol
LogP1.68
Rot. Bonds1

About CID 135045829

CID 135045829 (PubChem CID 135045829) has the molecular formula C12H10O2 and a molecular weight of 186.21 g/mol.

Molecular Properties

Compound NameCID 135045829
PubChem CID135045829
Molecular FormulaC12H10O2
Molecular Weight186.21 g/mol
Exact Mass186.07
IUPAC Name—
SMILESCOC(=O)C1=C2[C](C[C]1)[C]1C=C[C@@H]2C1
InChIInChI=1S/C12H10O2/c1-14-12(13)10-5-4-9-7-2-3-8(6-7)11(9)10/h2-3,8H,4,6H2,1H3/t8-/m1/s1
InChIKeyQWLQVCBGOYVUFY-MRVPVSSYSA-N
XLogP1.68
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Dimethyl bicyclo(2.2.1)hepta-2,5-diene-2,3-dicarboxylate
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Methyl bicyclo(2.2.1)hept-2-ene-2-carboxylate
CID 13546769
Dimethyl bicyclo[2.2.1]hept-2-ene-2,3-dicarboxylate
CID 304405
Dimethyl tricyclo[4.2.2.0~2,5~]deca-3,7,9-triene-7,8-dicarboxylate
CID 2850216
Bicyclo[2.2.1]hept-2-en-5-ylacetoxy-methane
CID 22179016
ethyl (1S,2S,6R,7R)-5-oxo-4-(trifluoromethyl)tricyclo[5.2.1.02,6]deca-3,8-diene-3-carboxylate
CID 50922993
dimethyl (1S,4R)-bicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate
CID 10987479
dimethyl (1R,4S)-bicyclo[2.2.1]hept-2-ene-2,3-dicarboxylate
CID 134993403
4,5,6,7-Tetrahydro-4,7-methanoisobenzofuran-1,3-dione
CID 12207496
Methyl 3-methylbicyclo[2.2.1]hepta-2,5-diene-2-carboxylate
CID 13129899
Ethyl bicyclo[2.2.1]hept-2-ene-2-carboxylate
CID 54375874
Dimethyl tetracyclo[5.4.1.02,6.08,11]dodeca-3,9-diene-9,10-dicarboxylate
CID 59449156

Frequently Asked Questions

What is the IUPAC name of CID 135045829?
The IUPAC name of CID 135045829 (CID 135045829) is not available.
What is the SMILES notation for CID 135045829?
The canonical SMILES for CID 135045829 is COC(=O)C1=C2[C](C[C]1)[C]1C=C[C@@H]2C1.
What is the InChIKey of CID 135045829?
The InChIKey is QWLQVCBGOYVUFY-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H10O2/c1-14-12(13)10-5-4-9-7-2-3-8(6-7)11(9)10/h2-3,8H,4,6H2,1H3/t8-/m1/s1.
What are the key properties of CID 135045829?
CID 135045829 has a molecular weight of 186.21 g/mol, XLogP of 1.68, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 135045829 is sourced from PubChem (CID 135045829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).