1-ethenyl-2-methoxy-3,5-bis(2,4,4-trimethylpentan-2-yl)benzene

C25H42O — CID 143892366

IUPAC1-ethenyl-2-methoxy-3,5-bis(2,4,4-trimethylpentan-2-yl)benzene
SMILESC=Cc1cc(C(C)(C)CC(C)(C)C)cc(C(C)(C)CC(C)(C)C)c1OC
InChIInChI=1S/C25H42O/c1-13-18-14-19(24(8,9)16-22(2,3)4)15-20(21(18)26-12)25(10,11)17-23(5,6)7/h13-15H,1,16-17H2,2-12H3
InChIKeyPEXCZMHDOKKEES-UHFFFAOYSA-N
MW358.61 g/mol
LogP7.77
Rot. Bonds6

About 1-ethenyl-2-methoxy-3,5-bis(2,4,4-trimethylpentan-2-yl)benzene

1-ethenyl-2-methoxy-3,5-bis(2,4,4-trimethylpentan-2-yl)benzene (PubChem CID 143892366) has the molecular formula C25H42O and a molecular weight of 358.61 g/mol. Its IUPAC name is 1-ethenyl-2-methoxy-3,5-bis(2,4,4-trimethylpentan-2-yl)benzene.

Molecular Properties

Compound Name1-ethenyl-2-methoxy-3,5-bis(2,4,4-trimethylpentan-2-yl)benzene
PubChem CID143892366
Molecular FormulaC25H42O
Molecular Weight358.61 g/mol
Exact Mass358.32
IUPAC Name1-ethenyl-2-methoxy-3,5-bis(2,4,4-trimethylpentan-2-yl)benzene
SMILESC=Cc1cc(C(C)(C)CC(C)(C)C)cc(C(C)(C)CC(C)(C)C)c1OC
InChIInChI=1S/C25H42O/c1-13-18-14-19(24(8,9)16-22(2,3)4)15-20(21(18)26-12)25(10,11)17-23(5,6)7/h13-15H,1,16-17H2,2-12H3
InChIKeyPEXCZMHDOKKEES-UHFFFAOYSA-N
XLogP7.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.61
LogP ≤ 57.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-ethenyl-2-methoxy-5-(2-methylbutan-2-yl)-3-propa-1,2-dienylbenzene
CID 121345575
1,3-dimethoxy-5-(2,4,4-trimethylpentan-2-yl)benzene
CID 144886169
2-(2-methylprop-1-enyl)-4,6-bis(2,4,4-trimethylpentan-2-yl)phenol
CID 58223850
1,3-ditert-butyl-5-(2,4,4-trimethylpentan-2-yl)benzene
CID 19017896
1-tert-butyl-5-ethenyl-2-ethyl-4-methoxy-3-methylbenzene
CID 143947910
2-[3-chloro-2-methoxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]ethanamine
CID 170888183
2-[2-hydroxy-3,5-bis(2,4,4-trimethylpentan-2-yl)phenyl]sulfanyl-4,6-bis(2,4,4-trimethylpentan-2-yl)phenol
CID 87580532
1-benzhydryl-5-tert-butyl-3-ethenyl-2-methoxybenzene
CID 126624230
1-(3,5-ditert-butyl-2-methoxyphenyl)-N-(1,3-dioxolan-2-ylmethyl)methanimine
CID 118119683
1,2-bis(2,4,4-trimethylpentan-2-yl)benzene
CID 19766935
3-hydroxy-5,7-bis(2,4,4-trimethylpentan-2-yl)naphthalene-2-carboxylic acid
CID 19606929
2-[[39,41-bis(carboxymethoxy)-38,40,42-trimethoxy-5,11,17,23,29,35-hexakis(2,4,4-trimethylpentan-2-yl)-37-heptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(36),3,5,7(42),9,11,13(41),15,17,19(40),21(39),22,24,27(38),28,30,33(37),34-octadecaenyl]oxy]acetic acid
CID 100963608

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-2-methoxy-3,5-bis(2,4,4-trimethylpentan-2-yl)benzene?
The IUPAC name of 1-ethenyl-2-methoxy-3,5-bis(2,4,4-trimethylpentan-2-yl)benzene (CID 143892366) is 1-ethenyl-2-methoxy-3,5-bis(2,4,4-trimethylpentan-2-yl)benzene.
What is the SMILES notation for 1-ethenyl-2-methoxy-3,5-bis(2,4,4-trimethylpentan-2-yl)benzene?
The canonical SMILES for 1-ethenyl-2-methoxy-3,5-bis(2,4,4-trimethylpentan-2-yl)benzene is C=Cc1cc(C(C)(C)CC(C)(C)C)cc(C(C)(C)CC(C)(C)C)c1OC.
What is the InChIKey of 1-ethenyl-2-methoxy-3,5-bis(2,4,4-trimethylpentan-2-yl)benzene?
The InChIKey is PEXCZMHDOKKEES-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H42O/c1-13-18-14-19(24(8,9)16-22(2,3)4)15-20(21(18)26-12)25(10,11)17-23(5,6)7/h13-15H,1,16-17H2,2-12H3.
What are the key properties of 1-ethenyl-2-methoxy-3,5-bis(2,4,4-trimethylpentan-2-yl)benzene?
1-ethenyl-2-methoxy-3,5-bis(2,4,4-trimethylpentan-2-yl)benzene has a molecular weight of 358.61 g/mol, XLogP of 7.77, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-2-methoxy-3,5-bis(2,4,4-trimethylpentan-2-yl)benzene is sourced from PubChem (CID 143892366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).