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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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).