2-(2,2-dimethyl-3-propan-2-yloxycyclopropylidene)ethenylbenzene

C16H20O — CID 598598

IUPAC2-(2,2-dimethyl-3-propan-2-yloxycyclopropylidene)ethenylbenzene
SMILESCC(C)OC1C(=C=Cc2ccccc2)C1(C)C
InChIInChI=1S/C16H20O/c1-12(2)17-15-14(16(15,3)4)11-10-13-8-6-5-7-9-13/h5-10,12,15H,1-4H3
InChIKeyWFHIQRWODKUSDE-UHFFFAOYSA-N
MW228.34 g/mol
LogP4.06
Rot. Bonds3

About 2-(2,2-dimethyl-3-propan-2-yloxycyclopropylidene)ethenylbenzene

2-(2,2-dimethyl-3-propan-2-yloxycyclopropylidene)ethenylbenzene (PubChem CID 598598) has the molecular formula C16H20O and a molecular weight of 228.34 g/mol. Its IUPAC name is 2-(2,2-dimethyl-3-propan-2-yloxycyclopropylidene)ethenylbenzene.

Molecular Properties

Compound Name2-(2,2-dimethyl-3-propan-2-yloxycyclopropylidene)ethenylbenzene
PubChem CID598598
Molecular FormulaC16H20O
Molecular Weight228.34 g/mol
Exact Mass228.15
IUPAC Name2-(2,2-dimethyl-3-propan-2-yloxycyclopropylidene)ethenylbenzene
SMILESCC(C)OC1C(=C=Cc2ccccc2)C1(C)C
InChIInChI=1S/C16H20O/c1-12(2)17-15-14(16(15,3)4)11-10-13-8-6-5-7-9-13/h5-10,12,15H,1-4H3
InChIKeyWFHIQRWODKUSDE-UHFFFAOYSA-N
XLogP4.06
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-ethoxy-7-(2-phenylethenylidene)bicyclo[4.1.0]heptane
CID 611084
carbanide;2-phenylethenylidenerhodium;bis(tri(propan-2-yl)phosphane)
CID 11038817
[2,2-dimethyl-3-(2-phenylethenylidene)cyclobutyl]methyl methanesulfonate
CID 165387218
9-(2-phenylethenylidene)fluorene
CID 16724981
(4-methyl-1-phenylpenta-1,2-dien-3-yl)benzene
CID 10633480
(3Z)-3-benzylidene-1-propan-2-yloxy-1H-2-benzofuran
CID 135012099
N-[(2S)-butan-2-yl]-2-phenylethenimine
CID 13459841
O-propan-2-yl (E)-3-phenylprop-2-enethioate
CID 56930203
(4S,5S)-3,3-dimethyl-5-phenyl-4-propan-2-yloxydithiolane
CID 170710418
1-[(E)-2-phenylethenyl]-4-propan-2-yloxybenzene
CID 168849749
1-methyl-4-(3-phenylpropa-1,2-dienyl)benzene
CID 10262404
hexachloroantimony(1-);methyl-phenyl-(propan-2-yloxymethylidene)azanium
CID 134919753

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethyl-3-propan-2-yloxycyclopropylidene)ethenylbenzene?
The IUPAC name of 2-(2,2-dimethyl-3-propan-2-yloxycyclopropylidene)ethenylbenzene (CID 598598) is 2-(2,2-dimethyl-3-propan-2-yloxycyclopropylidene)ethenylbenzene.
What is the SMILES notation for 2-(2,2-dimethyl-3-propan-2-yloxycyclopropylidene)ethenylbenzene?
The canonical SMILES for 2-(2,2-dimethyl-3-propan-2-yloxycyclopropylidene)ethenylbenzene is CC(C)OC1C(=C=Cc2ccccc2)C1(C)C.
What is the InChIKey of 2-(2,2-dimethyl-3-propan-2-yloxycyclopropylidene)ethenylbenzene?
The InChIKey is WFHIQRWODKUSDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O/c1-12(2)17-15-14(16(15,3)4)11-10-13-8-6-5-7-9-13/h5-10,12,15H,1-4H3.
What are the key properties of 2-(2,2-dimethyl-3-propan-2-yloxycyclopropylidene)ethenylbenzene?
2-(2,2-dimethyl-3-propan-2-yloxycyclopropylidene)ethenylbenzene has a molecular weight of 228.34 g/mol, XLogP of 4.06, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethyl-3-propan-2-yloxycyclopropylidene)ethenylbenzene is sourced from PubChem (CID 598598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).