methyl 2-(3-methyl-2-phenylbut-1-enyl)cyclopropane-1-carboxylate

C16H20O2 — CID 174450373

IUPACmethyl 2-(3-methyl-2-phenylbut-1-enyl)cyclopropane-1-carboxylate
SMILESCOC(=O)C1CC1C=C(c1ccccc1)C(C)C
InChIInChI=1S/C16H20O2/c1-11(2)14(12-7-5-4-6-8-12)9-13-10-15(13)16(17)18-3/h4-9,11,13,15H,10H2,1-3H3
InChIKeyXJRSSPFZFQCJMS-UHFFFAOYSA-N
MW244.33 g/mol
LogP3.54
Rot. Bonds4

About methyl 2-(3-methyl-2-phenylbut-1-enyl)cyclopropane-1-carboxylate

methyl 2-(3-methyl-2-phenylbut-1-enyl)cyclopropane-1-carboxylate (PubChem CID 174450373) has the molecular formula C16H20O2 and a molecular weight of 244.33 g/mol. Its IUPAC name is methyl 2-(3-methyl-2-phenylbut-1-enyl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-(3-methyl-2-phenylbut-1-enyl)cyclopropane-1-carboxylate
PubChem CID174450373
Molecular FormulaC16H20O2
Molecular Weight244.33 g/mol
Exact Mass244.15
IUPAC Namemethyl 2-(3-methyl-2-phenylbut-1-enyl)cyclopropane-1-carboxylate
SMILESCOC(=O)C1CC1C=C(c1ccccc1)C(C)C
InChIInChI=1S/C16H20O2/c1-11(2)14(12-7-5-4-6-8-12)9-13-10-15(13)16(17)18-3/h4-9,11,13,15H,10H2,1-3H3
InChIKeyXJRSSPFZFQCJMS-UHFFFAOYSA-N
XLogP3.54
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 4-methyl-3-phenylpent-2-enoate
CID 85106865
carbonic acid;methyl 2-ethenylcyclopropane-1-carboxylate
CID 66957945
methyl 2-[(Z)-3-methyl-3-phenylbut-1-enyl]cyclopropane-1-carboxylate
CID 174569154
methyl (1R)-2-ethenylcyclopropane-1-carboxylate
CID 175542907
hexamethyl (2S,3R,6R,7S,10S,11R)-1,2,3,4,5,6,7,8,9,10,11,12-dodecahydrotriphenylene-2,3,6,7,10,11-hexacarboxylate
CID 7163303
trans-methyl (1S,2S)-2-phenylcyclopropane-1-carboxylate
CID 642984
methyl (1R,6S)-6-benzoylcyclohex-3-ene-1-carboxylate
CID 102464913
cis-2,4-dimethylpentan-3-yl (1S,2R)-2-[(E)-2-phenylethenyl]cyclopropane-1-carboxylate
CID 10957101
cis-methyl (1S,2R)-2-phenylcyclobutane-1-carboxylate
CID 99991979
dimethyl (2R,4S)-1-(1-phenylethyl)azetidine-2,4-dicarboxylate
CID 54060167
trans-methyl (1R,2R)-2-benzylcyclopropane-1-carboxylate
CID 71409329
methyl (E)-4,4-dichloro-3-phenylbut-2-enoate
CID 121219418

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-methyl-2-phenylbut-1-enyl)cyclopropane-1-carboxylate?
The IUPAC name of methyl 2-(3-methyl-2-phenylbut-1-enyl)cyclopropane-1-carboxylate (CID 174450373) is methyl 2-(3-methyl-2-phenylbut-1-enyl)cyclopropane-1-carboxylate.
What is the SMILES notation for methyl 2-(3-methyl-2-phenylbut-1-enyl)cyclopropane-1-carboxylate?
The canonical SMILES for methyl 2-(3-methyl-2-phenylbut-1-enyl)cyclopropane-1-carboxylate is COC(=O)C1CC1C=C(c1ccccc1)C(C)C.
What is the InChIKey of methyl 2-(3-methyl-2-phenylbut-1-enyl)cyclopropane-1-carboxylate?
The InChIKey is XJRSSPFZFQCJMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O2/c1-11(2)14(12-7-5-4-6-8-12)9-13-10-15(13)16(17)18-3/h4-9,11,13,15H,10H2,1-3H3.
What are the key properties of methyl 2-(3-methyl-2-phenylbut-1-enyl)cyclopropane-1-carboxylate?
methyl 2-(3-methyl-2-phenylbut-1-enyl)cyclopropane-1-carboxylate has a molecular weight of 244.33 g/mol, XLogP of 3.54, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-methyl-2-phenylbut-1-enyl)cyclopropane-1-carboxylate is sourced from PubChem (CID 174450373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).