1-(2-cyclohexyloxy-3,3-dimethylbutan-2-yl)oxy-4-ethenylbenzene

C20H30O2 — CID 23504210

IUPAC1-(2-cyclohexyloxy-3,3-dimethylbutan-2-yl)oxy-4-ethenylbenzene
SMILESC=Cc1ccc(OC(C)(OC2CCCCC2)C(C)(C)C)cc1
InChIInChI=1S/C20H30O2/c1-6-16-12-14-18(15-13-16)22-20(5,19(2,3)4)21-17-10-8-7-9-11-17/h6,12-15,17H,1,7-11H2,2-5H3
InChIKeyRKRVIIRMWAWTRO-UHFFFAOYSA-N
MW302.46 g/mol
LogP5.82
Rot. Bonds5

About 1-(2-cyclohexyloxy-3,3-dimethylbutan-2-yl)oxy-4-ethenylbenzene

1-(2-cyclohexyloxy-3,3-dimethylbutan-2-yl)oxy-4-ethenylbenzene (PubChem CID 23504210) has the molecular formula C20H30O2 and a molecular weight of 302.46 g/mol. Its IUPAC name is 1-(2-cyclohexyloxy-3,3-dimethylbutan-2-yl)oxy-4-ethenylbenzene.

Molecular Properties

Compound Name1-(2-cyclohexyloxy-3,3-dimethylbutan-2-yl)oxy-4-ethenylbenzene
PubChem CID23504210
Molecular FormulaC20H30O2
Molecular Weight302.46 g/mol
Exact Mass302.22
IUPAC Name1-(2-cyclohexyloxy-3,3-dimethylbutan-2-yl)oxy-4-ethenylbenzene
SMILESC=Cc1ccc(OC(C)(OC2CCCCC2)C(C)(C)C)cc1
InChIInChI=1S/C20H30O2/c1-6-16-12-14-18(15-13-16)22-20(5,19(2,3)4)21-17-10-8-7-9-11-17/h6,12-15,17H,1,7-11H2,2-5H3
InChIKeyRKRVIIRMWAWTRO-UHFFFAOYSA-N
XLogP5.82
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.46
LogP ≤ 55.82
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

Cresyl glycidyl ether
CID 16606
p-tert-Butylphenyl glycidyl ether
CID 18360
2-(4-(1,1-Dimethylethyl)phenoxy)cyclohexanol
CID 16033
1,1'-(Ethane-1,2-diylbis(oxy))bis(3-methylbenzene)
CID 97354
Benzene, 1,1'-oxybis[4-methyl-
CID 74098
Benzyl Phenyl Ether
CID 70352
3,4-Bis(4-methoxyphenyl)hex-3-ene
CID 3032539
Oxirane, 2-((4-(1-methyl-1-phenylethyl)phenoxy)methyl)-
CID 62186
Benzyl p-tolyl ether
CID 70036
1-(Diethoxymethyl)-4-methoxybenzene
CID 75468
Photoanethole
CID 641296
1-methoxy-4-[(E)-2-(4-methylphenyl)vinyl]benzene
CID 639952

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclohexyloxy-3,3-dimethylbutan-2-yl)oxy-4-ethenylbenzene?
The IUPAC name of 1-(2-cyclohexyloxy-3,3-dimethylbutan-2-yl)oxy-4-ethenylbenzene (CID 23504210) is 1-(2-cyclohexyloxy-3,3-dimethylbutan-2-yl)oxy-4-ethenylbenzene.
What is the SMILES notation for 1-(2-cyclohexyloxy-3,3-dimethylbutan-2-yl)oxy-4-ethenylbenzene?
The canonical SMILES for 1-(2-cyclohexyloxy-3,3-dimethylbutan-2-yl)oxy-4-ethenylbenzene is C=Cc1ccc(OC(C)(OC2CCCCC2)C(C)(C)C)cc1.
What is the InChIKey of 1-(2-cyclohexyloxy-3,3-dimethylbutan-2-yl)oxy-4-ethenylbenzene?
The InChIKey is RKRVIIRMWAWTRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30O2/c1-6-16-12-14-18(15-13-16)22-20(5,19(2,3)4)21-17-10-8-7-9-11-17/h6,12-15,17H,1,7-11H2,2-5H3.
What are the key properties of 1-(2-cyclohexyloxy-3,3-dimethylbutan-2-yl)oxy-4-ethenylbenzene?
1-(2-cyclohexyloxy-3,3-dimethylbutan-2-yl)oxy-4-ethenylbenzene has a molecular weight of 302.46 g/mol, XLogP of 5.82, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclohexyloxy-3,3-dimethylbutan-2-yl)oxy-4-ethenylbenzene is sourced from PubChem (CID 23504210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).