trans-propyl (1R,2R)-2-methylcyclopropane-1-carboxylate

C8H14O2 — CID 93032108

IUPACtrans-propyl (1R,2R)-2-methylcyclopropane-1-carboxylate
SMILESCCCOC(=O)[C@@H]1C[C@H]1C
InChIInChI=1S/C8H14O2/c1-3-4-10-8(9)7-5-6(7)2/h6-7H,3-5H2,1-2H3/t6-,7-/m1/s1
InChIKeyJHNGVHNJWOCYIM-RNFRBKRXSA-N
MW142.20 g/mol
LogP1.60
Rot. Bonds3

About trans-propyl (1R,2R)-2-methylcyclopropane-1-carboxylate

trans-propyl (1R,2R)-2-methylcyclopropane-1-carboxylate (PubChem CID 93032108) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is trans-propyl (1R,2R)-2-methylcyclopropane-1-carboxylate.

Molecular Properties

Compound Nametrans-propyl (1R,2R)-2-methylcyclopropane-1-carboxylate
PubChem CID93032108
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Nametrans-propyl (1R,2R)-2-methylcyclopropane-1-carboxylate
SMILESCCCOC(=O)[C@@H]1C[C@H]1C
InChIInChI=1S/C8H14O2/c1-3-4-10-8(9)7-5-6(7)2/h6-7H,3-5H2,1-2H3/t6-,7-/m1/s1
InChIKeyJHNGVHNJWOCYIM-RNFRBKRXSA-N
XLogP1.60
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-4-propoxycarbonylcyclopentane-1-carboxylic acid
CID 174601737
tripropyl cyclopropane-1,2,3-tricarboxylate
CID 177455130
4,6-bis(heptoxycarbonyl)cyclohexane-1,3-dicarboxylic acid
CID 66984559
cis-[(1R,2R)-2-methylcyclopropanecarbonyl] (1S,2R)-2-methylcyclopropane-1-carboxylate
CID 124835796
dipropyl 3-methylcyclohex-4-ene-1,2-dicarboxylate
CID 66938232
propyl 2-methylperoxycarbonylcyclohexane-1-carboxylate
CID 157438884
propyl 3-methyloxolane-2-carboxylate
CID 81433606
1-O-propyl 2-O-tetradecyl cyclohexane-1,2-dicarboxylate
CID 69474239
propyl 3-methyl-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-6-carboxylate
CID 163785294
dipropyl oxirane-2,3-dicarboxylate
CID 58624990
[(1S,3R,4S)-3-ethoxycarbonyl-4-methylcyclopentyl]azanium
CID 176725428
2-(2-methylcyclopropanecarbonyl)oxypropyl 2-methylcyclopropane-1-carboxylate
CID 118199278

Frequently Asked Questions

What is the IUPAC name of trans-propyl (1R,2R)-2-methylcyclopropane-1-carboxylate?
The IUPAC name of trans-propyl (1R,2R)-2-methylcyclopropane-1-carboxylate (CID 93032108) is trans-propyl (1R,2R)-2-methylcyclopropane-1-carboxylate.
What is the SMILES notation for trans-propyl (1R,2R)-2-methylcyclopropane-1-carboxylate?
The canonical SMILES for trans-propyl (1R,2R)-2-methylcyclopropane-1-carboxylate is CCCOC(=O)[C@@H]1C[C@H]1C.
What is the InChIKey of trans-propyl (1R,2R)-2-methylcyclopropane-1-carboxylate?
The InChIKey is JHNGVHNJWOCYIM-RNFRBKRXSA-N. The full InChI is InChI=1S/C8H14O2/c1-3-4-10-8(9)7-5-6(7)2/h6-7H,3-5H2,1-2H3/t6-,7-/m1/s1.
What are the key properties of trans-propyl (1R,2R)-2-methylcyclopropane-1-carboxylate?
trans-propyl (1R,2R)-2-methylcyclopropane-1-carboxylate has a molecular weight of 142.20 g/mol, XLogP of 1.60, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-propyl (1R,2R)-2-methylcyclopropane-1-carboxylate is sourced from PubChem (CID 93032108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).