(2,2-dimethyl-3-propylidenecyclobutyl)methoxymethylbenzene

C17H24O — CID 161112347

IUPAC(2,2-dimethyl-3-propylidenecyclobutyl)methoxymethylbenzene
SMILESCCC=C1CC(COCc2ccccc2)C1(C)C
InChIInChI=1S/C17H24O/c1-4-8-15-11-16(17(15,2)3)13-18-12-14-9-6-5-7-10-14/h5-10,16H,4,11-13H2,1-3H3
InChIKeyGUEJOVMHMIZAHQ-UHFFFAOYSA-N
MW244.38 g/mol
LogP4.59
Rot. Bonds5

About (2,2-dimethyl-3-propylidenecyclobutyl)methoxymethylbenzene

(2,2-dimethyl-3-propylidenecyclobutyl)methoxymethylbenzene (PubChem CID 161112347) has the molecular formula C17H24O and a molecular weight of 244.38 g/mol. Its IUPAC name is (2,2-dimethyl-3-propylidenecyclobutyl)methoxymethylbenzene.

Molecular Properties

Compound Name(2,2-dimethyl-3-propylidenecyclobutyl)methoxymethylbenzene
PubChem CID161112347
Molecular FormulaC17H24O
Molecular Weight244.38 g/mol
Exact Mass244.18
IUPAC Name(2,2-dimethyl-3-propylidenecyclobutyl)methoxymethylbenzene
SMILESCCC=C1CC(COCc2ccccc2)C1(C)C
InChIInChI=1S/C17H24O/c1-4-8-15-11-16(17(15,2)3)13-18-12-14-9-6-5-7-10-14/h5-10,16H,4,11-13H2,1-3H3
InChIKeyGUEJOVMHMIZAHQ-UHFFFAOYSA-N
XLogP4.59
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

cis-(1S,2S)-1-methyl-2-(phenylmethoxymethyl)cyclopropane-1-carbaldehyde
CID 90322673
(2,2-dimethyl-3-propa-1,2-dienylcyclobutyl)methoxymethylbenzene
CID 155766116
(3R)-2-ethyl-3-(phenylmethoxymethyl)oxirane
CID 165104713
[(1S,2S)-2-ethenylcyclopropyl]methoxymethylbenzene
CID 15816056
diethyl (2R)-2-(phenylmethoxymethyl)cyclopropane-1,1-dicarboxylate
CID 10946695
2,2-dimethyl-3-(phenylmethoxymethyl)cyclopropane-1-carbaldehyde
CID 13457405
[4-(phenylmethoxymethyl)cyclohexyl]methoxymethylbenzene
CID 100982245
[(1R,3R)-2,2-dibromo-3-propylcyclopropyl]methoxymethylbenzene
CID 164670390
1-ethoxycarbonyl-2-(phenylmethoxymethyl)cyclopropane-1-carboxylic acid
CID 85086376
(3aR,4S,6R,6aS)-4-ethenyl-2,2-dimethyl-6-(phenylmethoxymethyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole
CID 134852419
(2R,3S,4R)-3-ethenyl-2,3-dimethyl-2-[(E)-2-(2-methyl-1,3-dioxolan-2-yl)ethenyl]-4-(phenylmethoxymethyl)cyclohexan-1-one
CID 10667736
(2R,3S,4R)-3-ethenyl-2,3-dimethyl-2-(3-oxobutyl)-4-(phenylmethoxymethyl)cyclohexan-1-one
CID 10854806

Frequently Asked Questions

What is the IUPAC name of (2,2-dimethyl-3-propylidenecyclobutyl)methoxymethylbenzene?
The IUPAC name of (2,2-dimethyl-3-propylidenecyclobutyl)methoxymethylbenzene (CID 161112347) is (2,2-dimethyl-3-propylidenecyclobutyl)methoxymethylbenzene.
What is the SMILES notation for (2,2-dimethyl-3-propylidenecyclobutyl)methoxymethylbenzene?
The canonical SMILES for (2,2-dimethyl-3-propylidenecyclobutyl)methoxymethylbenzene is CCC=C1CC(COCc2ccccc2)C1(C)C.
What is the InChIKey of (2,2-dimethyl-3-propylidenecyclobutyl)methoxymethylbenzene?
The InChIKey is GUEJOVMHMIZAHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O/c1-4-8-15-11-16(17(15,2)3)13-18-12-14-9-6-5-7-10-14/h5-10,16H,4,11-13H2,1-3H3.
What are the key properties of (2,2-dimethyl-3-propylidenecyclobutyl)methoxymethylbenzene?
(2,2-dimethyl-3-propylidenecyclobutyl)methoxymethylbenzene has a molecular weight of 244.38 g/mol, XLogP of 4.59, 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-propylidenecyclobutyl)methoxymethylbenzene is sourced from PubChem (CID 161112347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).