1-tert-butyl-3-(4,4-dimethyl-5-propan-2-yloxypent-1-enyl)benzene

C20H32O — CID 91085027

IUPAC1-tert-butyl-3-(4,4-dimethyl-5-propan-2-yloxypent-1-enyl)benzene
SMILESCC(C)OCC(C)(C)CC=Cc1cccc(C(C)(C)C)c1
InChIInChI=1S/C20H32O/c1-16(2)21-15-20(6,7)13-9-11-17-10-8-12-18(14-17)19(3,4)5/h8-12,14,16H,13,15H2,1-7H3
InChIKeyFXFVOVVZIZRPPM-UHFFFAOYSA-N
MW288.48 g/mol
LogP5.84
Rot. Bonds6

About 1-tert-butyl-3-(4,4-dimethyl-5-propan-2-yloxypent-1-enyl)benzene

1-tert-butyl-3-(4,4-dimethyl-5-propan-2-yloxypent-1-enyl)benzene (PubChem CID 91085027) has the molecular formula C20H32O and a molecular weight of 288.48 g/mol. Its IUPAC name is 1-tert-butyl-3-(4,4-dimethyl-5-propan-2-yloxypent-1-enyl)benzene.

Molecular Properties

Compound Name1-tert-butyl-3-(4,4-dimethyl-5-propan-2-yloxypent-1-enyl)benzene
PubChem CID91085027
Molecular FormulaC20H32O
Molecular Weight288.48 g/mol
Exact Mass288.25
IUPAC Name1-tert-butyl-3-(4,4-dimethyl-5-propan-2-yloxypent-1-enyl)benzene
SMILESCC(C)OCC(C)(C)CC=Cc1cccc(C(C)(C)C)c1
InChIInChI=1S/C20H32O/c1-16(2)21-15-20(6,7)13-9-11-17-10-8-12-18(14-17)19(3,4)5/h8-12,14,16H,13,15H2,1-7H3
InChIKeyFXFVOVVZIZRPPM-UHFFFAOYSA-N
XLogP5.84
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.48
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-(4,4-dimethyl-5-propan-2-yloxypent-1-enyl)benzene?
The IUPAC name of 1-tert-butyl-3-(4,4-dimethyl-5-propan-2-yloxypent-1-enyl)benzene (CID 91085027) is 1-tert-butyl-3-(4,4-dimethyl-5-propan-2-yloxypent-1-enyl)benzene.
What is the SMILES notation for 1-tert-butyl-3-(4,4-dimethyl-5-propan-2-yloxypent-1-enyl)benzene?
The canonical SMILES for 1-tert-butyl-3-(4,4-dimethyl-5-propan-2-yloxypent-1-enyl)benzene is CC(C)OCC(C)(C)CC=Cc1cccc(C(C)(C)C)c1.
What is the InChIKey of 1-tert-butyl-3-(4,4-dimethyl-5-propan-2-yloxypent-1-enyl)benzene?
The InChIKey is FXFVOVVZIZRPPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32O/c1-16(2)21-15-20(6,7)13-9-11-17-10-8-12-18(14-17)19(3,4)5/h8-12,14,16H,13,15H2,1-7H3.
What are the key properties of 1-tert-butyl-3-(4,4-dimethyl-5-propan-2-yloxypent-1-enyl)benzene?
1-tert-butyl-3-(4,4-dimethyl-5-propan-2-yloxypent-1-enyl)benzene has a molecular weight of 288.48 g/mol, XLogP of 5.84, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-(4,4-dimethyl-5-propan-2-yloxypent-1-enyl)benzene is sourced from PubChem (CID 91085027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).