1,1-dimethyl-2-[(2-methylpropan-2-yl)oxymethyl]-4-prop-1-enylidenecyclobutane

C14H24O — CID 167543456

IUPAC1,1-dimethyl-2-[(2-methylpropan-2-yl)oxymethyl]-4-prop-1-enylidenecyclobutane
SMILESCC=C=C1CC(COC(C)(C)C)C1(C)C
InChIInChI=1S/C14H24O/c1-7-8-11-9-12(14(11,5)6)10-15-13(2,3)4/h7,12H,9-10H2,1-6H3
InChIKeyJPETVDHOXQECIC-UHFFFAOYSA-N
MW208.34 g/mol
LogP3.95
Rot. Bonds2

About 1,1-dimethyl-2-[(2-methylpropan-2-yl)oxymethyl]-4-prop-1-enylidenecyclobutane

1,1-dimethyl-2-[(2-methylpropan-2-yl)oxymethyl]-4-prop-1-enylidenecyclobutane (PubChem CID 167543456) has the molecular formula C14H24O and a molecular weight of 208.34 g/mol. Its IUPAC name is 1,1-dimethyl-2-[(2-methylpropan-2-yl)oxymethyl]-4-prop-1-enylidenecyclobutane.

Molecular Properties

Compound Name1,1-dimethyl-2-[(2-methylpropan-2-yl)oxymethyl]-4-prop-1-enylidenecyclobutane
PubChem CID167543456
Molecular FormulaC14H24O
Molecular Weight208.34 g/mol
Exact Mass208.18
IUPAC Name1,1-dimethyl-2-[(2-methylpropan-2-yl)oxymethyl]-4-prop-1-enylidenecyclobutane
SMILESCC=C=C1CC(COC(C)(C)C)C1(C)C
InChIInChI=1S/C14H24O/c1-7-8-11-9-12(14(11,5)6)10-15-13(2,3)4/h7,12H,9-10H2,1-6H3
InChIKeyJPETVDHOXQECIC-UHFFFAOYSA-N
XLogP3.95
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.34
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2,2-dimethyl-3-prop-1-enylidenecyclobutyl)methanol
CID 167543453
1,1,2,2-tetramethyl-3-[(2-methylpropan-2-yl)oxymethyl]cyclopropane
CID 126576854
[2,2-dimethyl-3-(2-methylsulfonylethenylidene)cyclobutyl]methanol
CID 165387213
(1S)-1-tert-butyl-2-[(2-methylpropan-2-yl)oxymethyl]cyclopropane
CID 140898338
2-ethylidene-1,1-dimethyl-4-(prop-2-enoxymethyl)cyclobutane
CID 157054638
1-[2-[1-methyl-2-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]oxyethyl]pyrrole-2,5-dione
CID 156791276
2,2-dimethyl-6-[(2-methylpropan-2-yl)oxymethyl]-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-4-one
CID 76803060
3-(methoxymethyl)-2,2-dimethylcyclobutan-1-one
CID 13059206
2-methylidene-4-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine
CID 158207230
1,1-dimethyl-3-[(2-methylpropan-2-yl)oxymethyl]cyclohexane
CID 56980867
(9S,10R)-5-ethenyl-4,4-dimethyl-8-[(2-methylpropan-2-yl)oxymethyl]-10-nitroso-6-oxatricyclo[5.3.0.01,9]decan-7-ol
CID 163531887
cis-(1R,2R)-N,N-dimethyl-2-[(2-methylpropan-2-yl)oxymethyl]cyclobutan-1-amine
CID 155794326

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-2-[(2-methylpropan-2-yl)oxymethyl]-4-prop-1-enylidenecyclobutane?
The IUPAC name of 1,1-dimethyl-2-[(2-methylpropan-2-yl)oxymethyl]-4-prop-1-enylidenecyclobutane (CID 167543456) is 1,1-dimethyl-2-[(2-methylpropan-2-yl)oxymethyl]-4-prop-1-enylidenecyclobutane.
What is the SMILES notation for 1,1-dimethyl-2-[(2-methylpropan-2-yl)oxymethyl]-4-prop-1-enylidenecyclobutane?
The canonical SMILES for 1,1-dimethyl-2-[(2-methylpropan-2-yl)oxymethyl]-4-prop-1-enylidenecyclobutane is CC=C=C1CC(COC(C)(C)C)C1(C)C.
What is the InChIKey of 1,1-dimethyl-2-[(2-methylpropan-2-yl)oxymethyl]-4-prop-1-enylidenecyclobutane?
The InChIKey is JPETVDHOXQECIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O/c1-7-8-11-9-12(14(11,5)6)10-15-13(2,3)4/h7,12H,9-10H2,1-6H3.
What are the key properties of 1,1-dimethyl-2-[(2-methylpropan-2-yl)oxymethyl]-4-prop-1-enylidenecyclobutane?
1,1-dimethyl-2-[(2-methylpropan-2-yl)oxymethyl]-4-prop-1-enylidenecyclobutane has a molecular weight of 208.34 g/mol, XLogP of 3.95, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-2-[(2-methylpropan-2-yl)oxymethyl]-4-prop-1-enylidenecyclobutane is sourced from PubChem (CID 167543456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).