2,4-dimethylpentan-3-yl (1R)-1-methyl-2-phenylcycloprop-2-ene-1-carboxylate

C18H24O2 — CID 102420758

IUPAC2,4-dimethylpentan-3-yl (1R)-1-methyl-2-phenylcycloprop-2-ene-1-carboxylate
SMILESCC(C)C(OC(=O)[C@]1(C)C=C1c1ccccc1)C(C)C
InChIInChI=1S/C18H24O2/c1-12(2)16(13(3)4)20-17(19)18(5)11-15(18)14-9-7-6-8-10-14/h6-13,16H,1-5H3/t18-/m1/s1
InChIKeyOJYALWSIXOAFSX-GOSISDBHSA-N
MW272.39 g/mol
LogP4.31
Rot. Bonds5

About 2,4-dimethylpentan-3-yl (1R)-1-methyl-2-phenylcycloprop-2-ene-1-carboxylate

2,4-dimethylpentan-3-yl (1R)-1-methyl-2-phenylcycloprop-2-ene-1-carboxylate (PubChem CID 102420758) has the molecular formula C18H24O2 and a molecular weight of 272.39 g/mol. Its IUPAC name is 2,4-dimethylpentan-3-yl (1R)-1-methyl-2-phenylcycloprop-2-ene-1-carboxylate.

Molecular Properties

Compound Name2,4-dimethylpentan-3-yl (1R)-1-methyl-2-phenylcycloprop-2-ene-1-carboxylate
PubChem CID102420758
Molecular FormulaC18H24O2
Molecular Weight272.39 g/mol
Exact Mass272.18
IUPAC Name2,4-dimethylpentan-3-yl (1R)-1-methyl-2-phenylcycloprop-2-ene-1-carboxylate
SMILESCC(C)C(OC(=O)[C@]1(C)C=C1c1ccccc1)C(C)C
InChIInChI=1S/C18H24O2/c1-12(2)16(13(3)4)20-17(19)18(5)11-15(18)14-9-7-6-8-10-14/h6-13,16H,1-5H3/t18-/m1/s1
InChIKeyOJYALWSIXOAFSX-GOSISDBHSA-N
XLogP4.31
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

cis-2,4-dimethylpentan-3-yl (1S,2S)-1-bromo-2-phenylcyclopropane-1-carboxylate
CID 102232951
(3-benzoyloxy-4-methylpentan-2-yl) benzoate
CID 14043639
[4-(diphenylcarbamoyloxy)-2,5-dimethylhexan-3-yl] N,N-diphenylcarbamate
CID 118271941
2,4-dimethylpentan-3-yl 4-phenylbutanoate
CID 146366962
dimethyl (1R,2S)-1,2-dimethyl-3,4-diphenylcyclobut-3-ene-1,2-dicarboxylate
CID 100937971
phenyl 1-(4-phenylphenyl)propan-2-yl carbonate
CID 10892928
2,4-dimethylpentan-3-yl (5R)-2-oxo-5-phenylcyclopentane-1-carboxylate
CID 10881194
cis-2,4-dimethylpentan-3-yl (1S,2R)-2-[(E)-2-phenylethenyl]cyclopropane-1-carboxylate
CID 10957101
bis(2,4-dimethylpentan-3-yl) carbonate
CID 87168840
propan-2-yl 2-bromo-6-(3-bromo-5-phenyl-2-propan-2-yloxycarbonylphenyl)-4-phenylbenzoate
CID 101421140
tert-butyl (1S)-1-cyano-2-phenylcycloprop-2-ene-1-carboxylate
CID 102107998
propan-2-yl (1S,5R)-1-hydroxy-4-oxo-2,5-diphenylcyclohex-2-ene-1-carboxylate
CID 164670608

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethylpentan-3-yl (1R)-1-methyl-2-phenylcycloprop-2-ene-1-carboxylate?
The IUPAC name of 2,4-dimethylpentan-3-yl (1R)-1-methyl-2-phenylcycloprop-2-ene-1-carboxylate (CID 102420758) is 2,4-dimethylpentan-3-yl (1R)-1-methyl-2-phenylcycloprop-2-ene-1-carboxylate.
What is the SMILES notation for 2,4-dimethylpentan-3-yl (1R)-1-methyl-2-phenylcycloprop-2-ene-1-carboxylate?
The canonical SMILES for 2,4-dimethylpentan-3-yl (1R)-1-methyl-2-phenylcycloprop-2-ene-1-carboxylate is CC(C)C(OC(=O)[C@]1(C)C=C1c1ccccc1)C(C)C.
What is the InChIKey of 2,4-dimethylpentan-3-yl (1R)-1-methyl-2-phenylcycloprop-2-ene-1-carboxylate?
The InChIKey is OJYALWSIXOAFSX-GOSISDBHSA-N. The full InChI is InChI=1S/C18H24O2/c1-12(2)16(13(3)4)20-17(19)18(5)11-15(18)14-9-7-6-8-10-14/h6-13,16H,1-5H3/t18-/m1/s1.
What are the key properties of 2,4-dimethylpentan-3-yl (1R)-1-methyl-2-phenylcycloprop-2-ene-1-carboxylate?
2,4-dimethylpentan-3-yl (1R)-1-methyl-2-phenylcycloprop-2-ene-1-carboxylate has a molecular weight of 272.39 g/mol, XLogP of 4.31, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethylpentan-3-yl (1R)-1-methyl-2-phenylcycloprop-2-ene-1-carboxylate is sourced from PubChem (CID 102420758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).