methyl 6-methyl-2-trimethylstannylcyclohexene-1-carboxylate

C12H22O2Sn — CID 11726851

IUPACmethyl 6-methyl-2-trimethylstannylcyclohexene-1-carboxylate
SMILESCOC(=O)C1=C([Sn](C)(C)C)CCCC1C
InChIInChI=1S/C9H13O2.3CH3.Sn/c1-7-5-3-4-6-8(7)9(10)11-2;;;;/h7H,3-5H2,1-2H3;3*1H3;
InChIKeyCTXUHXSMRLZEST-UHFFFAOYSA-N
MW317.02 g/mol
LogP3.15
Rot. Bonds2

About methyl 6-methyl-2-trimethylstannylcyclohexene-1-carboxylate

methyl 6-methyl-2-trimethylstannylcyclohexene-1-carboxylate (PubChem CID 11726851) has the molecular formula C12H22O2Sn and a molecular weight of 317.02 g/mol. Its IUPAC name is methyl 6-methyl-2-trimethylstannylcyclohexene-1-carboxylate.

Molecular Properties

Compound Namemethyl 6-methyl-2-trimethylstannylcyclohexene-1-carboxylate
PubChem CID11726851
Molecular FormulaC12H22O2Sn
Molecular Weight317.02 g/mol
Exact Mass318.06
IUPAC Namemethyl 6-methyl-2-trimethylstannylcyclohexene-1-carboxylate
SMILESCOC(=O)C1=C([Sn](C)(C)C)CCCC1C
InChIInChI=1S/C9H13O2.3CH3.Sn/c1-7-5-3-4-6-8(7)9(10)11-2;;;;/h7H,3-5H2,1-2H3;3*1H3;
InChIKeyCTXUHXSMRLZEST-UHFFFAOYSA-N
XLogP3.15
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.02
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-Isobenzofurandione, tetrahydro-5-methyl-
CID 118131
1-Cyclohexene-1-carboxylic acid, 2-ethyl-3,6,6-trimethyl-, ethyl ester
CID 175609
Methyl 4-(prop-1-en-2-yl)cyclohex-1-enecarboxylate
CID 4453437
(4S,10R)-10-Ethyl-5,9,10,11-tetrahydro-4-propyl-1H-cyclonona(1,2-c:5,6-c')difuran-1,3,6,8(4H)-tetrone
CID 164723
Methyl (4S)-4-(prop-1-en-2-yl)cyclohex-1-ene-1-carboxylate
CID 14159029
1-Cyclohexene-1,2-dicarboxylic acid, 1,2-dimethyl ester
CID 78039
Cyclohexene-1,2-dicarboxylic acid, bis(2-ethylhexyl) ester
CID 94201
1-Cyclohexene-1-carboxylic acid, 2,6,6-trimethyl-, methyl ester
CID 585112
1-Cyclohexene-1-carboxylic acid, 2,6,6-trimethyl-, ethyl ester
CID 175173
10-Ethyl-2-propyl-6,14-dioxatricyclo[10.3.0.04,8]pentadeca-1(12),4(8)-diene-5,7,13,15-tetrone
CID 4545207
methyl (5R)-2-methyl-5-propan-2-ylcyclopentene-1-carboxylate
CID 11275401
(2R,10S)-10-ethyl-2-propyl-6,14-dioxatricyclo[10.3.0.04,8]pentadeca-1(12),4(8)-diene-5,7,13,15-tetrone
CID 102010138

Frequently Asked Questions

What is the IUPAC name of methyl 6-methyl-2-trimethylstannylcyclohexene-1-carboxylate?
The IUPAC name of methyl 6-methyl-2-trimethylstannylcyclohexene-1-carboxylate (CID 11726851) is methyl 6-methyl-2-trimethylstannylcyclohexene-1-carboxylate.
What is the SMILES notation for methyl 6-methyl-2-trimethylstannylcyclohexene-1-carboxylate?
The canonical SMILES for methyl 6-methyl-2-trimethylstannylcyclohexene-1-carboxylate is COC(=O)C1=C([Sn](C)(C)C)CCCC1C.
What is the InChIKey of methyl 6-methyl-2-trimethylstannylcyclohexene-1-carboxylate?
The InChIKey is CTXUHXSMRLZEST-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13O2.3CH3.Sn/c1-7-5-3-4-6-8(7)9(10)11-2;;;;/h7H,3-5H2,1-2H3;3*1H3;.
What are the key properties of methyl 6-methyl-2-trimethylstannylcyclohexene-1-carboxylate?
methyl 6-methyl-2-trimethylstannylcyclohexene-1-carboxylate has a molecular weight of 317.02 g/mol, XLogP of 3.15, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-methyl-2-trimethylstannylcyclohexene-1-carboxylate is sourced from PubChem (CID 11726851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).