1-tert-butyl-3-(3,3-dimethoxycyclobutyl)benzene

C16H24O2 — CID 58432874

IUPAC1-tert-butyl-3-(3,3-dimethoxycyclobutyl)benzene
SMILESCOC1(OC)CC(c2cccc(C(C)(C)C)c2)C1
InChIInChI=1S/C16H24O2/c1-15(2,3)14-8-6-7-12(9-14)13-10-16(11-13,17-4)18-5/h6-9,13H,10-11H2,1-5H3
InChIKeyZVPBQPWFCYZQBJ-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.85
Rot. Bonds3

About 1-tert-butyl-3-(3,3-dimethoxycyclobutyl)benzene

1-tert-butyl-3-(3,3-dimethoxycyclobutyl)benzene (PubChem CID 58432874) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-tert-butyl-3-(3,3-dimethoxycyclobutyl)benzene.

Molecular Properties

Compound Name1-tert-butyl-3-(3,3-dimethoxycyclobutyl)benzene
PubChem CID58432874
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name1-tert-butyl-3-(3,3-dimethoxycyclobutyl)benzene
SMILESCOC1(OC)CC(c2cccc(C(C)(C)C)c2)C1
InChIInChI=1S/C16H24O2/c1-15(2,3)14-8-6-7-12(9-14)13-10-16(11-13,17-4)18-5/h6-9,13H,10-11H2,1-5H3
InChIKeyZVPBQPWFCYZQBJ-UHFFFAOYSA-N
XLogP3.85
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(3,3-Dimethoxy-2,2-dimethylpropyl)benzene
CID 175123
2-Methyl-3-(4-t-butylphenyl)propanal diethyl acetal
CID 129761816
Bis-methoxy-phenyl-cyclohexane
CID 10867809
3,3-Dimethoxybutylbenzene
CID 11084747
Benzene, (2,2-dimethoxypropyl)-
CID 12282854
(3,3,3-Trimethoxypropyl)benzene
CID 21527217
(3,3-Dimethoxy-5-phenylpentyl)benzene
CID 22910276
3,3-Dimethoxy-1-phenylcyclobutanecarbonitrile
CID 57725176
(3,3-Dimethoxy-2-methylpropyl)benzene
CID 85520482
(2,2-Dimethoxybutyl)benzene
CID 86205018
2-((3,3-Dimethoxy-1-phenylcyclobutyl)methyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 156009333
1-Fluoro-4-[3-(methoxymethyl)-1-methylcyclobutyl]-2-methylbenzene
CID 90706733

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-(3,3-dimethoxycyclobutyl)benzene?
The IUPAC name of 1-tert-butyl-3-(3,3-dimethoxycyclobutyl)benzene (CID 58432874) is 1-tert-butyl-3-(3,3-dimethoxycyclobutyl)benzene.
What is the SMILES notation for 1-tert-butyl-3-(3,3-dimethoxycyclobutyl)benzene?
The canonical SMILES for 1-tert-butyl-3-(3,3-dimethoxycyclobutyl)benzene is COC1(OC)CC(c2cccc(C(C)(C)C)c2)C1.
What is the InChIKey of 1-tert-butyl-3-(3,3-dimethoxycyclobutyl)benzene?
The InChIKey is ZVPBQPWFCYZQBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O2/c1-15(2,3)14-8-6-7-12(9-14)13-10-16(11-13,17-4)18-5/h6-9,13H,10-11H2,1-5H3.
What are the key properties of 1-tert-butyl-3-(3,3-dimethoxycyclobutyl)benzene?
1-tert-butyl-3-(3,3-dimethoxycyclobutyl)benzene has a molecular weight of 248.37 g/mol, XLogP of 3.85, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-(3,3-dimethoxycyclobutyl)benzene is sourced from PubChem (CID 58432874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).