1-tert-butyl-4-(3,3-diethoxyprop-1-enyl)benzene

C17H26O2 — CID 171483639

IUPAC1-tert-butyl-4-(3,3-diethoxyprop-1-enyl)benzene
SMILESCCOC(C=Cc1ccc(C(C)(C)C)cc1)OCC
InChIInChI=1S/C17H26O2/c1-6-18-16(19-7-2)13-10-14-8-11-15(12-9-14)17(3,4)5/h8-13,16H,6-7H2,1-5H3
InChIKeyJFWDJASLKNQSRO-UHFFFAOYSA-N
MW262.39 g/mol
LogP4.40
Rot. Bonds6

About 1-tert-butyl-4-(3,3-diethoxyprop-1-enyl)benzene

1-tert-butyl-4-(3,3-diethoxyprop-1-enyl)benzene (PubChem CID 171483639) has the molecular formula C17H26O2 and a molecular weight of 262.39 g/mol. Its IUPAC name is 1-tert-butyl-4-(3,3-diethoxyprop-1-enyl)benzene.

Molecular Properties

Compound Name1-tert-butyl-4-(3,3-diethoxyprop-1-enyl)benzene
PubChem CID171483639
Molecular FormulaC17H26O2
Molecular Weight262.39 g/mol
Exact Mass262.19
IUPAC Name1-tert-butyl-4-(3,3-diethoxyprop-1-enyl)benzene
SMILESCCOC(C=Cc1ccc(C(C)(C)C)cc1)OCC
InChIInChI=1S/C17H26O2/c1-6-18-16(19-7-2)13-10-14-8-11-15(12-9-14)17(3,4)5/h8-13,16H,6-7H2,1-5H3
InChIKeyJFWDJASLKNQSRO-UHFFFAOYSA-N
XLogP4.40
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.39
LogP ≤ 54.40
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

4-[(E)-3,3-diethoxyprop-1-enyl]benzaldehyde
CID 14592145
1,4-bis[(Z)-2-(4-tert-butylphenyl)ethenyl]benzene
CID 102332044
4-(4-tert-butylphenyl)but-3-en-2-ol
CID 139612527
1-tert-butyl-4-(2,2-diethoxyethyl)benzene
CID 119030887
1-tert-butyl-4-[(E)-3,3-dimethylbut-1-enyl]benzene
CID 22712636
1-(3-bromobut-1-enyl)-4-(2-methylbutan-2-yl)benzene
CID 57192877
1-(3-bromoprop-1-enyl)-4-tert-butylbenzene
CID 79323485
3-(4-tert-butylphenyl)-1-(4-methoxyphenyl)prop-2-en-1-ol
CID 78103173
[3,5-bis[(E)-2-[3,5-bis[(E)-2-(4-tert-butylphenyl)ethenyl]phenyl]ethenyl]phenyl]methanol
CID 59816802
5-[(E)-2-(4-tert-butylphenyl)ethenyl]benzene-1,3-diol
CID 71454329
1-(bromomethyl)-4-[(E)-2-(4-tert-butylphenyl)ethenyl]benzene
CID 10381897
4-tert-butyl-2-[(E)-2-[4-[(E)-2-(5-tert-butyl-2-ethoxyphenyl)ethenyl]phenyl]ethenyl]-1-ethoxybenzene
CID 102415018

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-(3,3-diethoxyprop-1-enyl)benzene?
The IUPAC name of 1-tert-butyl-4-(3,3-diethoxyprop-1-enyl)benzene (CID 171483639) is 1-tert-butyl-4-(3,3-diethoxyprop-1-enyl)benzene.
What is the SMILES notation for 1-tert-butyl-4-(3,3-diethoxyprop-1-enyl)benzene?
The canonical SMILES for 1-tert-butyl-4-(3,3-diethoxyprop-1-enyl)benzene is CCOC(C=Cc1ccc(C(C)(C)C)cc1)OCC.
What is the InChIKey of 1-tert-butyl-4-(3,3-diethoxyprop-1-enyl)benzene?
The InChIKey is JFWDJASLKNQSRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O2/c1-6-18-16(19-7-2)13-10-14-8-11-15(12-9-14)17(3,4)5/h8-13,16H,6-7H2,1-5H3.
What are the key properties of 1-tert-butyl-4-(3,3-diethoxyprop-1-enyl)benzene?
1-tert-butyl-4-(3,3-diethoxyprop-1-enyl)benzene has a molecular weight of 262.39 g/mol, XLogP of 4.40, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-(3,3-diethoxyprop-1-enyl)benzene is sourced from PubChem (CID 171483639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).