cis-methyl (1S,2S)-2-propan-2-ylcyclobutane-1-carboxylate

C9H16O2 — CID 59802095

IUPACcis-methyl (1S,2S)-2-propan-2-ylcyclobutane-1-carboxylate
SMILESCOC(=O)[C@H]1CC[C@H]1C(C)C
InChIInChI=1S/C9H16O2/c1-6(2)7-4-5-8(7)9(10)11-3/h6-8H,4-5H2,1-3H3/t7-,8-/m0/s1
InChIKeyMDJVUFWGMCZUPY-YUMQZZPRSA-N
MW156.22 g/mol
LogP1.84
Rot. Bonds2

About cis-methyl (1S,2S)-2-propan-2-ylcyclobutane-1-carboxylate

cis-methyl (1S,2S)-2-propan-2-ylcyclobutane-1-carboxylate (PubChem CID 59802095) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is cis-methyl (1S,2S)-2-propan-2-ylcyclobutane-1-carboxylate.

Molecular Properties

Compound Namecis-methyl (1S,2S)-2-propan-2-ylcyclobutane-1-carboxylate
PubChem CID59802095
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Namecis-methyl (1S,2S)-2-propan-2-ylcyclobutane-1-carboxylate
SMILESCOC(=O)[C@H]1CC[C@H]1C(C)C
InChIInChI=1S/C9H16O2/c1-6(2)7-4-5-8(7)9(10)11-3/h6-8H,4-5H2,1-3H3/t7-,8-/m0/s1
InChIKeyMDJVUFWGMCZUPY-YUMQZZPRSA-N
XLogP1.84
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2,5-di(propan-2-yl)cyclohexane-1-carboxylate
CID 168819317
methyl 2-propan-2-yl-5-prop-2-enoylcyclohexane-1-carboxylate
CID 168819241
trans-methyl (3R,4R)-3,4-di(propan-2-yl)cyclopentane-1-carboxylate
CID 59408300
tetramethyl (1S,2R,4S,5R)-cyclohexane-1,2,4,5-tetracarboxylate
CID 102016488
dimethyl cyclopropane-1,2-dicarboxylate
CID 2724542
methyl 2-carbonochloridoylcyclobutane-1-carboxylate
CID 12809237
methyl 2-(1-hydroxyethyl)cyclopentane-1-carboxylate
CID 89342886
methyl (3R,4R)-4-propan-2-ylpyrrolidine-3-carboxylate;hydrochloride
CID 72699098
methyl (2S)-2-carbonochloridoylcyclopropane-1-carboxylate
CID 140893068
(1S,2S,4R,5S)-4,5-dihydroxy-2-methoxycarbonylcyclohexane-1-carboxylic acid
CID 10856936
methyl 1,4-di(propan-2-yl)pyrrolidine-3-carboxylate
CID 167252053
methyl 2-formylcyclobutane-1-carboxylate
CID 12721333

Frequently Asked Questions

What is the IUPAC name of cis-methyl (1S,2S)-2-propan-2-ylcyclobutane-1-carboxylate?
The IUPAC name of cis-methyl (1S,2S)-2-propan-2-ylcyclobutane-1-carboxylate (CID 59802095) is cis-methyl (1S,2S)-2-propan-2-ylcyclobutane-1-carboxylate.
What is the SMILES notation for cis-methyl (1S,2S)-2-propan-2-ylcyclobutane-1-carboxylate?
The canonical SMILES for cis-methyl (1S,2S)-2-propan-2-ylcyclobutane-1-carboxylate is COC(=O)[C@H]1CC[C@H]1C(C)C.
What is the InChIKey of cis-methyl (1S,2S)-2-propan-2-ylcyclobutane-1-carboxylate?
The InChIKey is MDJVUFWGMCZUPY-YUMQZZPRSA-N. The full InChI is InChI=1S/C9H16O2/c1-6(2)7-4-5-8(7)9(10)11-3/h6-8H,4-5H2,1-3H3/t7-,8-/m0/s1.
What are the key properties of cis-methyl (1S,2S)-2-propan-2-ylcyclobutane-1-carboxylate?
cis-methyl (1S,2S)-2-propan-2-ylcyclobutane-1-carboxylate has a molecular weight of 156.22 g/mol, XLogP of 1.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-methyl (1S,2S)-2-propan-2-ylcyclobutane-1-carboxylate is sourced from PubChem (CID 59802095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).