methyl (2Z)-2-(2-methylprop-2-enylidene)-1,6-dioxaspiro[4.4]non-3-ene-4-carboxylate

C13H16O4 — CID 101499580

IUPACmethyl (2Z)-2-(2-methylprop-2-enylidene)-1,6-dioxaspiro[4.4]non-3-ene-4-carboxylate
SMILESC=C(C)/C=C1/C=C(C(=O)OC)C2(CCCO2)O1
InChIInChI=1S/C13H16O4/c1-9(2)7-10-8-11(12(14)15-3)13(17-10)5-4-6-16-13/h7-8H,1,4-6H2,2-3H3/b10-7-
InChIKeyHNPKSLHOKHSHQO-YFHOEESVSA-N
MW236.27 g/mol
LogP2.08
Rot. Bonds2

About methyl (2Z)-2-(2-methylprop-2-enylidene)-1,6-dioxaspiro[4.4]non-3-ene-4-carboxylate

methyl (2Z)-2-(2-methylprop-2-enylidene)-1,6-dioxaspiro[4.4]non-3-ene-4-carboxylate (PubChem CID 101499580) has the molecular formula C13H16O4 and a molecular weight of 236.27 g/mol. Its IUPAC name is methyl (2Z)-2-(2-methylprop-2-enylidene)-1,6-dioxaspiro[4.4]non-3-ene-4-carboxylate.

Molecular Properties

Compound Namemethyl (2Z)-2-(2-methylprop-2-enylidene)-1,6-dioxaspiro[4.4]non-3-ene-4-carboxylate
PubChem CID101499580
Molecular FormulaC13H16O4
Molecular Weight236.27 g/mol
Exact Mass236.10
IUPAC Namemethyl (2Z)-2-(2-methylprop-2-enylidene)-1,6-dioxaspiro[4.4]non-3-ene-4-carboxylate
SMILESC=C(C)/C=C1/C=C(C(=O)OC)C2(CCCO2)O1
InChIInChI=1S/C13H16O4/c1-9(2)7-10-8-11(12(14)15-3)13(17-10)5-4-6-16-13/h7-8H,1,4-6H2,2-3H3/b10-7-
InChIKeyHNPKSLHOKHSHQO-YFHOEESVSA-N
XLogP2.08
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl (2Z)-2-(2-methylprop-2-enylidene)-1,6-dioxaspiro[4.4]non-3-ene-4-carboxylate with MolForge

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Related Compounds

Dimethyl 1-ethyl-8,8-dimethyl-6,10-dioxaspiro[4.5]deca-1,3-diene-3,4-dicarboxylate
CID 102020593
2-[2-[(E)-5-ethoxy-4-methyl-5-oxopent-3-enyl]-1,3-dioxolan-2-yl]acetic acid
CID 135010803
ethyl 2-(2-ethoxy-2-oxoethyl)-5-[(E)-prop-1-enyl]-2,3-dihydrofuran-4-carboxylate
CID 139257408
methyl (3aS,7aR)-2,2,7-trimethyl-3a,7a-dihydro-1,3-benzodioxole-4-carboxylate
CID 162415989
methyl (2E)-2-(4,5-diethyl-5-methoxyfuran-2-ylidene)hexanoate
CID 10517030
1-[(5Z)-5-(1-bromoethylidene)-2-oxofuran-3-yl]butyl propanoate
CID 59760027
1-[(5Z)-5-(1-bromoethylidene)-2-oxofuran-3-yl]butyl butanoate
CID 59760036
ethyl (2Z)-4-butyl-2-ethylidene-5-oxofuran-3-carboxylate
CID 59992589
Ethyl 4-butyl-2-ethylidene-5-oxofuran-3-carboxylate
CID 72616543
ethyl (2E)-2-(2,3-dihydrofuran-5-ylmethylidene)-3-oxohexanoate
CID 167203783
Methyl 1,4-dioxaspiro[4.4]non-8-ene-9-carboxylate
CID 11240853
Ethyl 1,4-dioxaspiro[4.4]non-8-ene-9-carboxylate
CID 12454211

Frequently Asked Questions

What is the IUPAC name of methyl (2Z)-2-(2-methylprop-2-enylidene)-1,6-dioxaspiro[4.4]non-3-ene-4-carboxylate?
The IUPAC name of methyl (2Z)-2-(2-methylprop-2-enylidene)-1,6-dioxaspiro[4.4]non-3-ene-4-carboxylate (CID 101499580) is methyl (2Z)-2-(2-methylprop-2-enylidene)-1,6-dioxaspiro[4.4]non-3-ene-4-carboxylate.
What is the SMILES notation for methyl (2Z)-2-(2-methylprop-2-enylidene)-1,6-dioxaspiro[4.4]non-3-ene-4-carboxylate?
The canonical SMILES for methyl (2Z)-2-(2-methylprop-2-enylidene)-1,6-dioxaspiro[4.4]non-3-ene-4-carboxylate is C=C(C)/C=C1/C=C(C(=O)OC)C2(CCCO2)O1.
What is the InChIKey of methyl (2Z)-2-(2-methylprop-2-enylidene)-1,6-dioxaspiro[4.4]non-3-ene-4-carboxylate?
The InChIKey is HNPKSLHOKHSHQO-YFHOEESVSA-N. The full InChI is InChI=1S/C13H16O4/c1-9(2)7-10-8-11(12(14)15-3)13(17-10)5-4-6-16-13/h7-8H,1,4-6H2,2-3H3/b10-7-.
What are the key properties of methyl (2Z)-2-(2-methylprop-2-enylidene)-1,6-dioxaspiro[4.4]non-3-ene-4-carboxylate?
methyl (2Z)-2-(2-methylprop-2-enylidene)-1,6-dioxaspiro[4.4]non-3-ene-4-carboxylate has a molecular weight of 236.27 g/mol, XLogP of 2.08, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2Z)-2-(2-methylprop-2-enylidene)-1,6-dioxaspiro[4.4]non-3-ene-4-carboxylate is sourced from PubChem (CID 101499580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).