dimethyl 2-(5-methylidenehept-6-enyl)cyclopropane-1,1-dicarboxylate

C15H22O4 — CID 102198667

IUPACdimethyl 2-(5-methylidenehept-6-enyl)cyclopropane-1,1-dicarboxylate
SMILESC=CC(=C)CCCCC1CC1(C(=O)OC)C(=O)OC
InChIInChI=1S/C15H22O4/c1-5-11(2)8-6-7-9-12-10-15(12,13(16)18-3)14(17)19-4/h5,12H,1-2,6-10H2,3-4H3
InChIKeyGBYMLEVROJBXRI-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.64
Rot. Bonds8

About dimethyl 2-(5-methylidenehept-6-enyl)cyclopropane-1,1-dicarboxylate

dimethyl 2-(5-methylidenehept-6-enyl)cyclopropane-1,1-dicarboxylate (PubChem CID 102198667) has the molecular formula C15H22O4 and a molecular weight of 266.34 g/mol. Its IUPAC name is dimethyl 2-(5-methylidenehept-6-enyl)cyclopropane-1,1-dicarboxylate.

Molecular Properties

Compound Namedimethyl 2-(5-methylidenehept-6-enyl)cyclopropane-1,1-dicarboxylate
PubChem CID102198667
Molecular FormulaC15H22O4
Molecular Weight266.34 g/mol
Exact Mass266.15
IUPAC Namedimethyl 2-(5-methylidenehept-6-enyl)cyclopropane-1,1-dicarboxylate
SMILESC=CC(=C)CCCCC1CC1(C(=O)OC)C(=O)OC
InChIInChI=1S/C15H22O4/c1-5-11(2)8-6-7-9-12-10-15(12,13(16)18-3)14(17)19-4/h5,12H,1-2,6-10H2,3-4H3
InChIKeyGBYMLEVROJBXRI-UHFFFAOYSA-N
XLogP2.64
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

dimethyl 2-ethenylcyclopropane-1,1-dicarboxylate
CID 10464992
diethyl (2S)-2-heptylcyclopropane-1,1-dicarboxylate
CID 68664186
methyl (2E)-8-methylidenedeca-2,9-dienoate
CID 23727495
N-hydroxy-5-methylidenehept-6-enamide
CID 11252135
dimethyl (2R)-2-[2-[(E)-(4-methoxyphenyl)methylideneamino]oxyethyl]cyclopropane-1,1-dicarboxylate
CID 177443571
6-(2-methoxyethoxy)-3-methylidenehex-1-ene;2-methoxyprop-1-ene
CID 144564677
diethyl 2-propylcyclopropane-1,1-dicarboxylate
CID 14811904
methyl (1S,4aR,5R,8aR)-1,4a-dimethyl-6-methylidene-5-(3-methylidenepent-4-enyl)-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylate
CID 162959988
methyl 3-hydroxy-1-propylcyclopentane-1-carboxylate
CID 67858041
2-O-(4-methylidenehex-5-enyl) 3-O-pent-4-enyl 5,6-dimethoxy-5,6-dimethyl-1,4-dioxane-2,3-dicarboxylate
CID 135060834
methyl 1-prop-2-enylcyclohexane-1-carboxylate
CID 10932067
methyl 1-propylcyclobutane-1-carboxylate
CID 69380883

Frequently Asked Questions

What is the IUPAC name of dimethyl 2-(5-methylidenehept-6-enyl)cyclopropane-1,1-dicarboxylate?
The IUPAC name of dimethyl 2-(5-methylidenehept-6-enyl)cyclopropane-1,1-dicarboxylate (CID 102198667) is dimethyl 2-(5-methylidenehept-6-enyl)cyclopropane-1,1-dicarboxylate.
What is the SMILES notation for dimethyl 2-(5-methylidenehept-6-enyl)cyclopropane-1,1-dicarboxylate?
The canonical SMILES for dimethyl 2-(5-methylidenehept-6-enyl)cyclopropane-1,1-dicarboxylate is C=CC(=C)CCCCC1CC1(C(=O)OC)C(=O)OC.
What is the InChIKey of dimethyl 2-(5-methylidenehept-6-enyl)cyclopropane-1,1-dicarboxylate?
The InChIKey is GBYMLEVROJBXRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O4/c1-5-11(2)8-6-7-9-12-10-15(12,13(16)18-3)14(17)19-4/h5,12H,1-2,6-10H2,3-4H3.
What are the key properties of dimethyl 2-(5-methylidenehept-6-enyl)cyclopropane-1,1-dicarboxylate?
dimethyl 2-(5-methylidenehept-6-enyl)cyclopropane-1,1-dicarboxylate has a molecular weight of 266.34 g/mol, XLogP of 2.64, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-(5-methylidenehept-6-enyl)cyclopropane-1,1-dicarboxylate is sourced from PubChem (CID 102198667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).