methyl tetracyclo[3.3.0.02,4.03,6]oct-7-ene-4-carboxylate

C10H10O2 — CID 568595

IUPACmethyl tetracyclo[3.3.0.02,4.03,6]oct-7-ene-4-carboxylate
SMILESCOC(=O)C12C3C4C=CC3C1C42
InChIInChI=1S/C10H10O2/c1-12-9(11)10-6-4-2-3-5(6)8(10)7(4)10/h2-8H,1H3
InChIKeyZYUUTDYDFBJIDO-UHFFFAOYSA-N
MW162.19 g/mol
LogP0.84
Rot. Bonds1

About methyl tetracyclo[3.3.0.02,4.03,6]oct-7-ene-4-carboxylate

methyl tetracyclo[3.3.0.02,4.03,6]oct-7-ene-4-carboxylate (PubChem CID 568595) has the molecular formula C10H10O2 and a molecular weight of 162.19 g/mol. Its IUPAC name is methyl tetracyclo[3.3.0.02,4.03,6]oct-7-ene-4-carboxylate.

Molecular Properties

Compound Namemethyl tetracyclo[3.3.0.02,4.03,6]oct-7-ene-4-carboxylate
PubChem CID568595
Molecular FormulaC10H10O2
Molecular Weight162.19 g/mol
Exact Mass162.07
IUPAC Namemethyl tetracyclo[3.3.0.02,4.03,6]oct-7-ene-4-carboxylate
SMILESCOC(=O)C12C3C4C=CC3C1C42
InChIInChI=1S/C10H10O2/c1-12-9(11)10-6-4-2-3-5(6)8(10)7(4)10/h2-8H,1H3
InChIKeyZYUUTDYDFBJIDO-UHFFFAOYSA-N
XLogP0.84
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze methyl tetracyclo[3.3.0.02,4.03,6]oct-7-ene-4-carboxylate with MolForge

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Related Compounds

methyl prismane-1-carboxylate
CID 102022545
methyl (1R,2R,3R,6R,7R,8R)-pentacyclo[4.3.0.02,4.03,8.05,7]nonane-4-carboxylate
CID 98554819
methyl 4-(aminomethyl)cubane-1-carboxylate
CID 59460933
methyl 4-(trifluoromethyl)cubane-1-carboxylate
CID 155982311
methyl (1S,2S,3S,4S,5S,6R,7S,8R,9R)-9-hydroxypentacyclo[4.4.0.02,4.03,8.05,7]decane-4-carboxylate
CID 23228581
methyl 4-isocyanatocubane-1-carboxylate
CID 165344239
methyl 4-(2-oxoethyl)cubane-1-carboxylate
CID 22678870
(1S,2S,3S,4S,7S,8S)-3,8-bis(methoxycarbonyl)tricyclo[5.1.0.02,4]oct-5-ene-3,8-dicarboxylic acid
CID 101115278
methyl (2S,5R,7R,8S)-3-aminocubane-1-carboxylate
CID 125041651
dimethyl (1R,4S,7S,10R)-pentacyclo[6.4.0.02,10.03,7.04,9]dodeca-5,11-diene-8,9-dicarboxylate
CID 98158983
dimethyl (2S,4R)-tetracyclo[3.2.0.02,7.04,6]heptane-1,6-dicarboxylate
CID 10727053
dimethyl (1S,4S,7R,10R)-pentacyclo[6.4.0.02,10.03,7.04,9]dodeca-5,11-diene-8,9-dicarboxylate
CID 10869421

Frequently Asked Questions

What is the IUPAC name of methyl tetracyclo[3.3.0.02,4.03,6]oct-7-ene-4-carboxylate?
The IUPAC name of methyl tetracyclo[3.3.0.02,4.03,6]oct-7-ene-4-carboxylate (CID 568595) is methyl tetracyclo[3.3.0.02,4.03,6]oct-7-ene-4-carboxylate.
What is the SMILES notation for methyl tetracyclo[3.3.0.02,4.03,6]oct-7-ene-4-carboxylate?
The canonical SMILES for methyl tetracyclo[3.3.0.02,4.03,6]oct-7-ene-4-carboxylate is COC(=O)C12C3C4C=CC3C1C42.
What is the InChIKey of methyl tetracyclo[3.3.0.02,4.03,6]oct-7-ene-4-carboxylate?
The InChIKey is ZYUUTDYDFBJIDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O2/c1-12-9(11)10-6-4-2-3-5(6)8(10)7(4)10/h2-8H,1H3.
What are the key properties of methyl tetracyclo[3.3.0.02,4.03,6]oct-7-ene-4-carboxylate?
methyl tetracyclo[3.3.0.02,4.03,6]oct-7-ene-4-carboxylate has a molecular weight of 162.19 g/mol, XLogP of 0.84, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl tetracyclo[3.3.0.02,4.03,6]oct-7-ene-4-carboxylate is sourced from PubChem (CID 568595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).