1-but-1-en-2-yl-3-(2-propylpentyl)benzene

C18H28 — CID 143530317

IUPAC1-but-1-en-2-yl-3-(2-propylpentyl)benzene
SMILESC=C(CC)c1cccc(CC(CCC)CCC)c1
InChIInChI=1S/C18H28/c1-5-9-16(10-6-2)13-17-11-8-12-18(14-17)15(4)7-3/h8,11-12,14,16H,4-7,9-10,13H2,1-3H3
InChIKeyJVOHAYDCZDUZGY-UHFFFAOYSA-N
MW244.42 g/mol
LogP5.87
Rot. Bonds8

About 1-but-1-en-2-yl-3-(2-propylpentyl)benzene

1-but-1-en-2-yl-3-(2-propylpentyl)benzene (PubChem CID 143530317) has the molecular formula C18H28 and a molecular weight of 244.42 g/mol. Its IUPAC name is 1-but-1-en-2-yl-3-(2-propylpentyl)benzene.

Molecular Properties

Compound Name1-but-1-en-2-yl-3-(2-propylpentyl)benzene
PubChem CID143530317
Molecular FormulaC18H28
Molecular Weight244.42 g/mol
Exact Mass244.22
IUPAC Name1-but-1-en-2-yl-3-(2-propylpentyl)benzene
SMILESC=C(CC)c1cccc(CC(CCC)CCC)c1
InChIInChI=1S/C18H28/c1-5-9-16(10-6-2)13-17-11-8-12-18(14-17)15(4)7-3/h8,11-12,14,16H,4-7,9-10,13H2,1-3H3
InChIKeyJVOHAYDCZDUZGY-UHFFFAOYSA-N
XLogP5.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500244.42
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

N-[1-[3-(2-propylpentyl)phenyl]ethenyl]pentan-1-amine
CID 143530388
1,3-bis(but-1-en-2-yl)benzene
CID 19692093
3-[(2S)-2-[2-(dimethylamino)ethyl]pentyl]phenol
CID 154938359
1-[2-(chloromethyl)pentyl]-3-fluorobenzene
CID 66034090
4-(2-aminoethyl)-1-[3-(2-methylpropyl)phenyl]heptan-1-one
CID 116583003
1-butyl-3-hex-1-en-2-ylbenzene
CID 157480093
1-[1-[(3-but-1-en-2-ylphenyl)methylamino]ethenylamino]pentan-2-one
CID 90247263
4-[(3-ethenylphenyl)methyl]heptan-1-amine
CID 140670772
6-[(3-ethenylphenyl)methyl]nonan-2-one
CID 143818930
1-prop-1-en-2-yl-3-propylbenzene
CID 22486655
1-ethyl-3-prop-1-en-2-ylbenzene
CID 14178225
1-(2-butylheptyl)-3-methylbenzene
CID 91430281

Frequently Asked Questions

What is the IUPAC name of 1-but-1-en-2-yl-3-(2-propylpentyl)benzene?
The IUPAC name of 1-but-1-en-2-yl-3-(2-propylpentyl)benzene (CID 143530317) is 1-but-1-en-2-yl-3-(2-propylpentyl)benzene.
What is the SMILES notation for 1-but-1-en-2-yl-3-(2-propylpentyl)benzene?
The canonical SMILES for 1-but-1-en-2-yl-3-(2-propylpentyl)benzene is C=C(CC)c1cccc(CC(CCC)CCC)c1.
What is the InChIKey of 1-but-1-en-2-yl-3-(2-propylpentyl)benzene?
The InChIKey is JVOHAYDCZDUZGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28/c1-5-9-16(10-6-2)13-17-11-8-12-18(14-17)15(4)7-3/h8,11-12,14,16H,4-7,9-10,13H2,1-3H3.
What are the key properties of 1-but-1-en-2-yl-3-(2-propylpentyl)benzene?
1-but-1-en-2-yl-3-(2-propylpentyl)benzene has a molecular weight of 244.42 g/mol, XLogP of 5.87, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-1-en-2-yl-3-(2-propylpentyl)benzene is sourced from PubChem (CID 143530317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).