(2,2-dimethyl-3-propa-1,2-dienylcyclobutyl)methoxymethylbenzene

C17H22O — CID 155766116

IUPAC(2,2-dimethyl-3-propa-1,2-dienylcyclobutyl)methoxymethylbenzene
SMILESC=C=CC1CC(COCc2ccccc2)C1(C)C
InChIInChI=1S/C17H22O/c1-4-8-15-11-16(17(15,2)3)13-18-12-14-9-6-5-7-10-14/h5-10,15-16H,1,11-13H2,2-3H3
InChIKeySJJXOZVWOYLSFA-UHFFFAOYSA-N
MW242.36 g/mol
LogP4.21
Rot. Bonds5

About (2,2-dimethyl-3-propa-1,2-dienylcyclobutyl)methoxymethylbenzene

(2,2-dimethyl-3-propa-1,2-dienylcyclobutyl)methoxymethylbenzene (PubChem CID 155766116) has the molecular formula C17H22O and a molecular weight of 242.36 g/mol. Its IUPAC name is (2,2-dimethyl-3-propa-1,2-dienylcyclobutyl)methoxymethylbenzene.

Molecular Properties

Compound Name(2,2-dimethyl-3-propa-1,2-dienylcyclobutyl)methoxymethylbenzene
PubChem CID155766116
Molecular FormulaC17H22O
Molecular Weight242.36 g/mol
Exact Mass242.17
IUPAC Name(2,2-dimethyl-3-propa-1,2-dienylcyclobutyl)methoxymethylbenzene
SMILESC=C=CC1CC(COCc2ccccc2)C1(C)C
InChIInChI=1S/C17H22O/c1-4-8-15-11-16(17(15,2)3)13-18-12-14-9-6-5-7-10-14/h5-10,15-16H,1,11-13H2,2-3H3
InChIKeySJJXOZVWOYLSFA-UHFFFAOYSA-N
XLogP4.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

cis-(1S,2S)-1-methyl-2-(phenylmethoxymethyl)cyclopropane-1-carbaldehyde
CID 90322673
(2R,3S,4R,5S,6R)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)-6-propa-1,2-dienyloxane
CID 102262531
(2,2-dimethyl-3-propylidenecyclobutyl)methoxymethylbenzene
CID 161112347
1-[[(1R,3S)-2,2-dimethyl-3-(phenylmethoxymethyl)cyclobutyl]methyl]-4-phenylpiperidine
CID 59293421
2,2-dimethyl-3-(phenylmethoxymethyl)cyclopropane-1-carbaldehyde
CID 13457405
2-[(1R,3R)-2,2-dimethyl-3-(phenylmethoxymethyl)cyclobutyl]ethyl methanesulfonate;methanesulfonic acid
CID 87509607
[(1S,2S)-2-ethenylcyclopropyl]methoxymethylbenzene
CID 15816056
buta-2,3-dienoxymethylbenzene
CID 15393691
(1S,2S,3S,4R)-2,3-bis(phenylmethoxymethyl)bicyclo[2.1.0]pentane
CID 166976209
[4-(phenylmethoxymethyl)cyclohexyl]methoxymethylbenzene
CID 100982245
cis-(1R,2S)-1-(4-chlorophenyl)-2-(phenylmethoxymethyl)cyclopropane-1-carbonitrile
CID 71526849
4-(phenylmethoxymethyl)cyclopentane-1,2-diol
CID 12717277

Frequently Asked Questions

What is the IUPAC name of (2,2-dimethyl-3-propa-1,2-dienylcyclobutyl)methoxymethylbenzene?
The IUPAC name of (2,2-dimethyl-3-propa-1,2-dienylcyclobutyl)methoxymethylbenzene (CID 155766116) is (2,2-dimethyl-3-propa-1,2-dienylcyclobutyl)methoxymethylbenzene.
What is the SMILES notation for (2,2-dimethyl-3-propa-1,2-dienylcyclobutyl)methoxymethylbenzene?
The canonical SMILES for (2,2-dimethyl-3-propa-1,2-dienylcyclobutyl)methoxymethylbenzene is C=C=CC1CC(COCc2ccccc2)C1(C)C.
What is the InChIKey of (2,2-dimethyl-3-propa-1,2-dienylcyclobutyl)methoxymethylbenzene?
The InChIKey is SJJXOZVWOYLSFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22O/c1-4-8-15-11-16(17(15,2)3)13-18-12-14-9-6-5-7-10-14/h5-10,15-16H,1,11-13H2,2-3H3.
What are the key properties of (2,2-dimethyl-3-propa-1,2-dienylcyclobutyl)methoxymethylbenzene?
(2,2-dimethyl-3-propa-1,2-dienylcyclobutyl)methoxymethylbenzene has a molecular weight of 242.36 g/mol, XLogP of 4.21, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethyl-3-propa-1,2-dienylcyclobutyl)methoxymethylbenzene is sourced from PubChem (CID 155766116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).