benzyl 3-methylidenecyclobutane-1-carboxylate;ethane

C15H20O2 — CID 142367650

IUPACbenzyl 3-methylidenecyclobutane-1-carboxylate;ethane
SMILESC=C1CC(C(=O)OCc2ccccc2)C1.CC
InChIInChI=1S/C13H14O2.C2H6/c1-10-7-12(8-10)13(14)15-9-11-5-3-2-4-6-11;1-2/h2-6,12H,1,7-9H2;1-2H3
InChIKeyBHQZEFHMXXRIFV-UHFFFAOYSA-N
MW232.32 g/mol
LogP3.72
Rot. Bonds3

About benzyl 3-methylidenecyclobutane-1-carboxylate;ethane

benzyl 3-methylidenecyclobutane-1-carboxylate;ethane (PubChem CID 142367650) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is benzyl 3-methylidenecyclobutane-1-carboxylate;ethane.

Molecular Properties

Compound Namebenzyl 3-methylidenecyclobutane-1-carboxylate;ethane
PubChem CID142367650
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Namebenzyl 3-methylidenecyclobutane-1-carboxylate;ethane
SMILESC=C1CC(C(=O)OCc2ccccc2)C1.CC
InChIInChI=1S/C13H14O2.C2H6/c1-10-7-12(8-10)13(14)15-9-11-5-3-2-4-6-11;1-2/h2-6,12H,1,7-9H2;1-2H3
InChIKeyBHQZEFHMXXRIFV-UHFFFAOYSA-N
XLogP3.72
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(3-methylidenecyclobutyl)ethenoxymethylbenzene
CID 169213404
dibenzyl cyclopentane-1,3-dicarboxylate
CID 90178451
(3R)-3,5-bis(phenylmethoxycarbonyl)cyclohexane-1-carboxylic acid
CID 143048104
benzyl 4-methoxycyclohexane-1-carboxylate
CID 118262723
benzyl spiro[2.5]octane-6-carboxylate
CID 66817825
benzyl 3-(fluoromethyl)cyclobutane-1-carboxylate
CID 90205162
2-(3-phenylmethoxycarbonylcyclobutyl)acetic acid
CID 170907534
benzyl 3-methoxycyclopentane-1-carboxylate
CID 175265399
benzyl (3S,5S)-5-methyloxolane-3-carboxylate
CID 102519565
benzyl piperidine-4-carboxylate;ethanol
CID 158740080
benzyl 2,5-dioxocyclopentane-1-carboxylate
CID 59459130
dibenzyl bicyclo[2.2.2]octane-2,3-dicarboxylate
CID 90715861

Frequently Asked Questions

What is the IUPAC name of benzyl 3-methylidenecyclobutane-1-carboxylate;ethane?
The IUPAC name of benzyl 3-methylidenecyclobutane-1-carboxylate;ethane (CID 142367650) is benzyl 3-methylidenecyclobutane-1-carboxylate;ethane.
What is the SMILES notation for benzyl 3-methylidenecyclobutane-1-carboxylate;ethane?
The canonical SMILES for benzyl 3-methylidenecyclobutane-1-carboxylate;ethane is C=C1CC(C(=O)OCc2ccccc2)C1.CC.
What is the InChIKey of benzyl 3-methylidenecyclobutane-1-carboxylate;ethane?
The InChIKey is BHQZEFHMXXRIFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O2.C2H6/c1-10-7-12(8-10)13(14)15-9-11-5-3-2-4-6-11;1-2/h2-6,12H,1,7-9H2;1-2H3.
What are the key properties of benzyl 3-methylidenecyclobutane-1-carboxylate;ethane?
benzyl 3-methylidenecyclobutane-1-carboxylate;ethane has a molecular weight of 232.32 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 3-methylidenecyclobutane-1-carboxylate;ethane is sourced from PubChem (CID 142367650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).