1-propan-2-yl-4-(2,2,5-trimethylheptan-3-yl)benzene

C19H32 — CID 144677187

IUPAC1-propan-2-yl-4-(2,2,5-trimethylheptan-3-yl)benzene
SMILESCCC(C)CC(c1ccc(C(C)C)cc1)C(C)(C)C
InChIInChI=1S/C19H32/c1-8-15(4)13-18(19(5,6)7)17-11-9-16(10-12-17)14(2)3/h9-12,14-15,18H,8,13H2,1-7H3
InChIKeyMQJSMZRVQMYDFR-UHFFFAOYSA-N
MW260.47 g/mol
LogP6.38
Rot. Bonds5

About 1-propan-2-yl-4-(2,2,5-trimethylheptan-3-yl)benzene

1-propan-2-yl-4-(2,2,5-trimethylheptan-3-yl)benzene (PubChem CID 144677187) has the molecular formula C19H32 and a molecular weight of 260.47 g/mol. Its IUPAC name is 1-propan-2-yl-4-(2,2,5-trimethylheptan-3-yl)benzene.

Molecular Properties

Compound Name1-propan-2-yl-4-(2,2,5-trimethylheptan-3-yl)benzene
PubChem CID144677187
Molecular FormulaC19H32
Molecular Weight260.47 g/mol
Exact Mass260.25
IUPAC Name1-propan-2-yl-4-(2,2,5-trimethylheptan-3-yl)benzene
SMILESCCC(C)CC(c1ccc(C(C)C)cc1)C(C)(C)C
InChIInChI=1S/C19H32/c1-8-15(4)13-18(19(5,6)7)17-11-9-16(10-12-17)14(2)3/h9-12,14-15,18H,8,13H2,1-7H3
InChIKeyMQJSMZRVQMYDFR-UHFFFAOYSA-N
XLogP6.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500260.47
LogP ≤ 56.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(1-ethoxyethoxy)-4-(2,2,5-trimethylheptan-3-yl)benzene
CID 123183893
1-methyl-4-(2,2,5-trimethylhexan-3-yl)benzene
CID 91000681
2,2,5-trimethylhexan-3-ylbenzene
CID 18669937
1-(2,2-dimethylhex-5-en-3-yl)-4-propan-2-ylbenzene
CID 163568299
3-methyl-1-(4-propan-2-ylphenyl)-N-propylpentan-1-amine
CID 63412385
1-(1-bromo-3-methylpentyl)-2,4-di(propan-2-yl)benzene
CID 114876117
1-(4-tert-butylphenyl)-3-methylpentan-1-amine
CID 114874175
1-(2-methylbutan-2-yloxy)-4-propan-2-ylbenzene
CID 118631923
1-[[4-(2,2,5-trimethylhexan-3-yl)phenyl]methyl]pyridin-1-ium
CID 143647365
1-butan-2-yl-4-(3,3-dimethylbutan-2-yloxy)benzene
CID 159159765
3-methyl-N-[(4-propan-2-ylphenyl)methyl]pentan-3-amine
CID 106328140
1-(1-bromo-3,5,5-trimethylhexyl)-4-propan-2-ylbenzene
CID 63443331

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-4-(2,2,5-trimethylheptan-3-yl)benzene?
The IUPAC name of 1-propan-2-yl-4-(2,2,5-trimethylheptan-3-yl)benzene (CID 144677187) is 1-propan-2-yl-4-(2,2,5-trimethylheptan-3-yl)benzene.
What is the SMILES notation for 1-propan-2-yl-4-(2,2,5-trimethylheptan-3-yl)benzene?
The canonical SMILES for 1-propan-2-yl-4-(2,2,5-trimethylheptan-3-yl)benzene is CCC(C)CC(c1ccc(C(C)C)cc1)C(C)(C)C.
What is the InChIKey of 1-propan-2-yl-4-(2,2,5-trimethylheptan-3-yl)benzene?
The InChIKey is MQJSMZRVQMYDFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32/c1-8-15(4)13-18(19(5,6)7)17-11-9-16(10-12-17)14(2)3/h9-12,14-15,18H,8,13H2,1-7H3.
What are the key properties of 1-propan-2-yl-4-(2,2,5-trimethylheptan-3-yl)benzene?
1-propan-2-yl-4-(2,2,5-trimethylheptan-3-yl)benzene has a molecular weight of 260.47 g/mol, XLogP of 6.38, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-4-(2,2,5-trimethylheptan-3-yl)benzene is sourced from PubChem (CID 144677187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).