methyl 5-methyl-2-[(2-methylpropan-2-yl)oxycarbonyloxy]cyclohexene-1-carboxylate

C14H22O5 — CID 142636036

IUPACmethyl 5-methyl-2-[(2-methylpropan-2-yl)oxycarbonyloxy]cyclohexene-1-carboxylate
SMILESCOC(=O)C1=C(OC(=O)OC(C)(C)C)CCC(C)C1
InChIInChI=1S/C14H22O5/c1-9-6-7-11(10(8-9)12(15)17-5)18-13(16)19-14(2,3)4/h9H,6-8H2,1-5H3
InChIKeyRHSSTIDZQXWGHY-UHFFFAOYSA-N
MW270.32 g/mol
LogP3.19
Rot. Bonds2

About methyl 5-methyl-2-[(2-methylpropan-2-yl)oxycarbonyloxy]cyclohexene-1-carboxylate

methyl 5-methyl-2-[(2-methylpropan-2-yl)oxycarbonyloxy]cyclohexene-1-carboxylate (PubChem CID 142636036) has the molecular formula C14H22O5 and a molecular weight of 270.32 g/mol. Its IUPAC name is methyl 5-methyl-2-[(2-methylpropan-2-yl)oxycarbonyloxy]cyclohexene-1-carboxylate.

Molecular Properties

Compound Namemethyl 5-methyl-2-[(2-methylpropan-2-yl)oxycarbonyloxy]cyclohexene-1-carboxylate
PubChem CID142636036
Molecular FormulaC14H22O5
Molecular Weight270.32 g/mol
Exact Mass270.15
IUPAC Namemethyl 5-methyl-2-[(2-methylpropan-2-yl)oxycarbonyloxy]cyclohexene-1-carboxylate
SMILESCOC(=O)C1=C(OC(=O)OC(C)(C)C)CCC(C)C1
InChIInChI=1S/C14H22O5/c1-9-6-7-11(10(8-9)12(15)17-5)18-13(16)19-14(2,3)4/h9H,6-8H2,1-5H3
InChIKeyRHSSTIDZQXWGHY-UHFFFAOYSA-N
XLogP3.19
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Dimethyl 4-ethylcyclopentene-1,2-dicarboxylate
CID 11469909
Methyl 6-methyl-2-trimethylstannylcyclohexene-1-carboxylate
CID 11726851
Ethyl 2-(methoxymethoxy)cyclohexene-1-carboxylate
CID 131851758
Ethyl 5-tert-butyl-2-(methoxymethoxy)cyclohexene-1-carboxylate
CID 301506
(1-Cyclododecyl-2-methylpropan-2-yl)oxycarbonyl 2,3,3-tri(cyclododecyl)prop-2-enoate
CID 54525024
Methyl 4-ethyl-2-hydroxycyclohexene-1-carboxylate
CID 66820505
methyl (4S)-4-ethyl-2-hydroxycyclohexene-1-carboxylate
CID 66820506
dimethyl (Z)-2-cyclohexyl-3-propan-2-ylbut-2-enedioate
CID 68008863
Dimethyl 2-cyclohexyl-3-propan-2-ylbut-2-enedioate
CID 68008864
dimethyl (Z)-2-cyclohexyl-3-propylbut-2-enedioate
CID 68008881
Dimethyl 2-cyclohexyl-3-propylbut-2-enedioate
CID 68008882
dimethyl (Z)-2-cyclohexyl-3-methylbut-2-enedioate
CID 68008912

Frequently Asked Questions

What is the IUPAC name of methyl 5-methyl-2-[(2-methylpropan-2-yl)oxycarbonyloxy]cyclohexene-1-carboxylate?
The IUPAC name of methyl 5-methyl-2-[(2-methylpropan-2-yl)oxycarbonyloxy]cyclohexene-1-carboxylate (CID 142636036) is methyl 5-methyl-2-[(2-methylpropan-2-yl)oxycarbonyloxy]cyclohexene-1-carboxylate.
What is the SMILES notation for methyl 5-methyl-2-[(2-methylpropan-2-yl)oxycarbonyloxy]cyclohexene-1-carboxylate?
The canonical SMILES for methyl 5-methyl-2-[(2-methylpropan-2-yl)oxycarbonyloxy]cyclohexene-1-carboxylate is COC(=O)C1=C(OC(=O)OC(C)(C)C)CCC(C)C1.
What is the InChIKey of methyl 5-methyl-2-[(2-methylpropan-2-yl)oxycarbonyloxy]cyclohexene-1-carboxylate?
The InChIKey is RHSSTIDZQXWGHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O5/c1-9-6-7-11(10(8-9)12(15)17-5)18-13(16)19-14(2,3)4/h9H,6-8H2,1-5H3.
What are the key properties of methyl 5-methyl-2-[(2-methylpropan-2-yl)oxycarbonyloxy]cyclohexene-1-carboxylate?
methyl 5-methyl-2-[(2-methylpropan-2-yl)oxycarbonyloxy]cyclohexene-1-carboxylate has a molecular weight of 270.32 g/mol, XLogP of 3.19, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-methyl-2-[(2-methylpropan-2-yl)oxycarbonyloxy]cyclohexene-1-carboxylate is sourced from PubChem (CID 142636036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).