1-(3-methylidenecyclobutyl)ethenoxymethylbenzene

C14H16O — CID 169213404

IUPAC1-(3-methylidenecyclobutyl)ethenoxymethylbenzene
SMILESC=C1CC(C(=C)OCc2ccccc2)C1
InChIInChI=1S/C14H16O/c1-11-8-14(9-11)12(2)15-10-13-6-4-3-5-7-13/h3-7,14H,1-2,8-10H2
InChIKeyIALLVRJRDNWMIK-UHFFFAOYSA-N
MW200.28 g/mol
LogP3.68
Rot. Bonds4

About 1-(3-methylidenecyclobutyl)ethenoxymethylbenzene

1-(3-methylidenecyclobutyl)ethenoxymethylbenzene (PubChem CID 169213404) has the molecular formula C14H16O and a molecular weight of 200.28 g/mol. Its IUPAC name is 1-(3-methylidenecyclobutyl)ethenoxymethylbenzene.

Molecular Properties

Compound Name1-(3-methylidenecyclobutyl)ethenoxymethylbenzene
PubChem CID169213404
Molecular FormulaC14H16O
Molecular Weight200.28 g/mol
Exact Mass200.12
IUPAC Name1-(3-methylidenecyclobutyl)ethenoxymethylbenzene
SMILESC=C1CC(C(=C)OCc2ccccc2)C1
InChIInChI=1S/C14H16O/c1-11-8-14(9-11)12(2)15-10-13-6-4-3-5-7-13/h3-7,14H,1-2,8-10H2
InChIKeyIALLVRJRDNWMIK-UHFFFAOYSA-N
XLogP3.68
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

benzyl 3-methylidenecyclobutane-1-carboxylate;ethane
CID 142367650
1-(1-phenylmethoxyethenyl)pyrrolidine
CID 142875248
lithium 1-phenylmethoxyethenolate
CID 23696401
1-phenylethenoxymethylbenzene;tetrabromomethane
CID 174884252
2-phenylmethoxyprop-2-enoic acid
CID 14954752
benzyl carbamate;heptahydrochloride
CID 141351835
dibenzyl cyclopentane-1,3-dicarboxylate
CID 90178451
2-phenylmethoxyprop-2-enenitrile
CID 23172777
3-phenylmethoxybut-2-en-2-yloxymethylbenzene
CID 86006666
(3R)-3,5-bis(phenylmethoxycarbonyl)cyclohexane-1-carboxylic acid
CID 143048104
benzyl piperidine-1-carboxylate
CID 158057698
benzyl N-[3,5-bis(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 102080822

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylidenecyclobutyl)ethenoxymethylbenzene?
The IUPAC name of 1-(3-methylidenecyclobutyl)ethenoxymethylbenzene (CID 169213404) is 1-(3-methylidenecyclobutyl)ethenoxymethylbenzene.
What is the SMILES notation for 1-(3-methylidenecyclobutyl)ethenoxymethylbenzene?
The canonical SMILES for 1-(3-methylidenecyclobutyl)ethenoxymethylbenzene is C=C1CC(C(=C)OCc2ccccc2)C1.
What is the InChIKey of 1-(3-methylidenecyclobutyl)ethenoxymethylbenzene?
The InChIKey is IALLVRJRDNWMIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O/c1-11-8-14(9-11)12(2)15-10-13-6-4-3-5-7-13/h3-7,14H,1-2,8-10H2.
What are the key properties of 1-(3-methylidenecyclobutyl)ethenoxymethylbenzene?
1-(3-methylidenecyclobutyl)ethenoxymethylbenzene has a molecular weight of 200.28 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylidenecyclobutyl)ethenoxymethylbenzene is sourced from PubChem (CID 169213404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).