methyl 9-methylidenespiro[4.5]dec-7-ene-10-carboxylate

C13H18O2 — CID 68727169

IUPACmethyl 9-methylidenespiro[4.5]dec-7-ene-10-carboxylate
SMILESC=C1C=CCC2(CCCC2)C1C(=O)OC
InChIInChI=1S/C13H18O2/c1-10-6-5-9-13(7-3-4-8-13)11(10)12(14)15-2/h5-6,11H,1,3-4,7-9H2,2H3
InChIKeyVRAQUPWLLQEAMD-UHFFFAOYSA-N
MW206.28 g/mol
LogP2.85
Rot. Bonds1

About methyl 9-methylidenespiro[4.5]dec-7-ene-10-carboxylate

methyl 9-methylidenespiro[4.5]dec-7-ene-10-carboxylate (PubChem CID 68727169) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is methyl 9-methylidenespiro[4.5]dec-7-ene-10-carboxylate.

Molecular Properties

Compound Namemethyl 9-methylidenespiro[4.5]dec-7-ene-10-carboxylate
PubChem CID68727169
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Namemethyl 9-methylidenespiro[4.5]dec-7-ene-10-carboxylate
SMILESC=C1C=CCC2(CCCC2)C1C(=O)OC
InChIInChI=1S/C13H18O2/c1-10-6-5-9-13(7-3-4-8-13)11(10)12(14)15-2/h5-6,11H,1,3-4,7-9H2,2H3
InChIKeyVRAQUPWLLQEAMD-UHFFFAOYSA-N
XLogP2.85
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 119800
3-Cyclohexene-1-carboxylic acid, 1-methyl-4-(4-methyl-3-penten-1-yl)-, methyl ester
CID 89480
methyl 3-[(1S,2S)-1-methyl-6-propan-2-yl-2-prop-1-en-2-yl-3,4,7,8-tetrahydro-2H-naphthalen-1-yl]propanoate
CID 25227579
1-Cyclohexene-1-acetic acid, alpha-methyl-4-(1-methylcyclopentyl)-
CID 206760
Bicyclo[2.2.1]hept-5-ene-2-carboxylic acid, 5,6-dimethyl-1-(1-methylethenyl)-, methyl ester
CID 154413761
Methyl 1-methyl-3-(4-methyl-3-pentenyl)-3-cyclohexene-1-carboxylate
CID 103426
Bicyclo[2.2.1]hept-5-ene-2-carboxylic acid, 1,6-dimethyl-5-(1-methylethenyl)-, methyl ester
CID 111351
Dehydroherbadysinolide
CID 15884891
Bicyclo(3.1.1)hept-2-ene-2-butanoic acid, 6,6-dimethyl-, methyl ester
CID 169992
ethyl (1S,4S,5S)-8-methylidene-1-propan-2-ylspiro[4.5]dec-9-ene-4-carboxylate
CID 127026799
3,3,6-trimethylspiro[3a,4,5,7a-tetrahydro-1H-indene-2,3'-furan]-2'-one
CID 85448527
(2R,3aS,7aR)-3,3,6-trimethylspiro[3a,4,5,7a-tetrahydro-1H-indene-2,3'-furan]-2'-one
CID 101886630

Frequently Asked Questions

What is the IUPAC name of methyl 9-methylidenespiro[4.5]dec-7-ene-10-carboxylate?
The IUPAC name of methyl 9-methylidenespiro[4.5]dec-7-ene-10-carboxylate (CID 68727169) is methyl 9-methylidenespiro[4.5]dec-7-ene-10-carboxylate.
What is the SMILES notation for methyl 9-methylidenespiro[4.5]dec-7-ene-10-carboxylate?
The canonical SMILES for methyl 9-methylidenespiro[4.5]dec-7-ene-10-carboxylate is C=C1C=CCC2(CCCC2)C1C(=O)OC.
What is the InChIKey of methyl 9-methylidenespiro[4.5]dec-7-ene-10-carboxylate?
The InChIKey is VRAQUPWLLQEAMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-10-6-5-9-13(7-3-4-8-13)11(10)12(14)15-2/h5-6,11H,1,3-4,7-9H2,2H3.
What are the key properties of methyl 9-methylidenespiro[4.5]dec-7-ene-10-carboxylate?
methyl 9-methylidenespiro[4.5]dec-7-ene-10-carboxylate has a molecular weight of 206.28 g/mol, XLogP of 2.85, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 9-methylidenespiro[4.5]dec-7-ene-10-carboxylate is sourced from PubChem (CID 68727169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).