1-prop-1-en-2-yl-4-(2,2,5,5-tetramethylhexan-3-yl)benzene

C19H30 — CID 90871361

IUPAC1-prop-1-en-2-yl-4-(2,2,5,5-tetramethylhexan-3-yl)benzene
SMILESC=C(C)c1ccc(C(CC(C)(C)C)C(C)(C)C)cc1
InChIInChI=1S/C19H30/c1-14(2)15-9-11-16(12-10-15)17(19(6,7)8)13-18(3,4)5/h9-12,17H,1,13H2,2-8H3
InChIKeyUXEOSKMQGSKTRB-UHFFFAOYSA-N
MW258.45 g/mol
LogP6.29
Rot. Bonds3

About 1-prop-1-en-2-yl-4-(2,2,5,5-tetramethylhexan-3-yl)benzene

1-prop-1-en-2-yl-4-(2,2,5,5-tetramethylhexan-3-yl)benzene (PubChem CID 90871361) has the molecular formula C19H30 and a molecular weight of 258.45 g/mol. Its IUPAC name is 1-prop-1-en-2-yl-4-(2,2,5,5-tetramethylhexan-3-yl)benzene.

Molecular Properties

Compound Name1-prop-1-en-2-yl-4-(2,2,5,5-tetramethylhexan-3-yl)benzene
PubChem CID90871361
Molecular FormulaC19H30
Molecular Weight258.45 g/mol
Exact Mass258.23
IUPAC Name1-prop-1-en-2-yl-4-(2,2,5,5-tetramethylhexan-3-yl)benzene
SMILESC=C(C)c1ccc(C(CC(C)(C)C)C(C)(C)C)cc1
InChIInChI=1S/C19H30/c1-14(2)15-9-11-16(12-10-15)17(19(6,7)8)13-18(3,4)5/h9-12,17H,1,13H2,2-8H3
InChIKeyUXEOSKMQGSKTRB-UHFFFAOYSA-N
XLogP6.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500258.45
LogP ≤ 56.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2,2-dimethyl-1-[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]propan-1-ol
CID 130269359
methyl 4-(2,2,5,5-tetramethylhexan-3-yl)benzoate
CID 71131717
2,2,5,5-tetramethylhexan-3-ylbenzene
CID 546256
1-methoxy-4-(2,2,5,5-tetramethylhexan-3-yl)benzene
CID 67966968
1-(bromomethyl)-4-(2,2,5,5-tetramethylhexan-3-yl)benzene
CID 123665434
[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]phosphonic acid
CID 71033304
ethane;[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]methanamine
CID 143183625
2-methyl-7-(2,2,5,5-tetramethylhexan-3-yl)naphthalene
CID 123479998
1-[3,3-dimethyl-1-(2-methylidenebut-3-enoxy)butoxy]-4-(2,2,5,5-tetramethylhexan-3-yl)benzene
CID 123633682
2,2,5,5-tetramethylhexan-3-ylbenzene;[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]phosphonic acid
CID 143754679
3-(2,2,5,5-tetramethylhexan-3-yl)bicyclo[4.2.0]octa-1(6),2,4-triene
CID 144724062
1-heptan-4-yl-4-prop-1-en-2-ylbenzene
CID 144559861

Frequently Asked Questions

What is the IUPAC name of 1-prop-1-en-2-yl-4-(2,2,5,5-tetramethylhexan-3-yl)benzene?
The IUPAC name of 1-prop-1-en-2-yl-4-(2,2,5,5-tetramethylhexan-3-yl)benzene (CID 90871361) is 1-prop-1-en-2-yl-4-(2,2,5,5-tetramethylhexan-3-yl)benzene.
What is the SMILES notation for 1-prop-1-en-2-yl-4-(2,2,5,5-tetramethylhexan-3-yl)benzene?
The canonical SMILES for 1-prop-1-en-2-yl-4-(2,2,5,5-tetramethylhexan-3-yl)benzene is C=C(C)c1ccc(C(CC(C)(C)C)C(C)(C)C)cc1.
What is the InChIKey of 1-prop-1-en-2-yl-4-(2,2,5,5-tetramethylhexan-3-yl)benzene?
The InChIKey is UXEOSKMQGSKTRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30/c1-14(2)15-9-11-16(12-10-15)17(19(6,7)8)13-18(3,4)5/h9-12,17H,1,13H2,2-8H3.
What are the key properties of 1-prop-1-en-2-yl-4-(2,2,5,5-tetramethylhexan-3-yl)benzene?
1-prop-1-en-2-yl-4-(2,2,5,5-tetramethylhexan-3-yl)benzene has a molecular weight of 258.45 g/mol, XLogP of 6.29, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-1-en-2-yl-4-(2,2,5,5-tetramethylhexan-3-yl)benzene is sourced from PubChem (CID 90871361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).