ethane;2-ethenyl-4-(3-methylbut-3-enyl)-1-propylbenzene

C20H34 — CID 143112871

IUPACethane;2-ethenyl-4-(3-methylbut-3-enyl)-1-propylbenzene
SMILESC=Cc1cc(CCC(=C)C)ccc1CCC.CC.CC
InChIInChI=1S/C16H22.2C2H6/c1-5-7-16-11-10-14(9-8-13(3)4)12-15(16)6-2;2*1-2/h6,10-12H,2-3,5,7-9H2,1,4H3;2*1-2H3
InChIKeyUPXWPYBVCNOVSQ-UHFFFAOYSA-N
MW274.49 g/mol
LogP6.84
Rot. Bonds6

About ethane;2-ethenyl-4-(3-methylbut-3-enyl)-1-propylbenzene

ethane;2-ethenyl-4-(3-methylbut-3-enyl)-1-propylbenzene (PubChem CID 143112871) has the molecular formula C20H34 and a molecular weight of 274.49 g/mol. Its IUPAC name is ethane;2-ethenyl-4-(3-methylbut-3-enyl)-1-propylbenzene.

Molecular Properties

Compound Nameethane;2-ethenyl-4-(3-methylbut-3-enyl)-1-propylbenzene
PubChem CID143112871
Molecular FormulaC20H34
Molecular Weight274.49 g/mol
Exact Mass274.27
IUPAC Nameethane;2-ethenyl-4-(3-methylbut-3-enyl)-1-propylbenzene
SMILESC=Cc1cc(CCC(=C)C)ccc1CCC.CC.CC
InChIInChI=1S/C16H22.2C2H6/c1-5-7-16-11-10-14(9-8-13(3)4)12-15(16)6-2;2*1-2/h6,10-12H,2-3,5,7-9H2,1,4H3;2*1-2H3
InChIKeyUPXWPYBVCNOVSQ-UHFFFAOYSA-N
XLogP6.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.49
LogP ≤ 56.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1,4-dibutyl-2-ethenylbenzene
CID 140596757
N-[2-(4-ethenyl-3-propylphenyl)ethyl]prop-1-en-2-amine
CID 134531448
1-ethenyl-2,4-dipropylbenzene
CID 22033822
1,2-bis(ethenyl)-4-propylbenzene
CID 142025634
ethane;2-ethenyl-4-methyl-1-propylbenzene;2-ethenyl-7-[(Z)-2-(7-propylnaphthalen-2-yl)ethenyl]naphthalene
CID 143531982
1,2-dichloro-4-(3-methylbut-3-enyl)benzene
CID 24722016
ethane;2-methyl-4-(6-methylhept-6-enyl)-1-octylbenzene
CID 142267466
2-pent-1-enyl-1,4-dipropylbenzene
CID 151469521
2-ethenyl-1-ethyl-4-prop-2-enylbenzene
CID 123275619
1-(3-methylbut-3-enyl)-4-prop-1-en-2-ylbenzene
CID 143231860
6-methyl-2-(3-methylbut-3-enyl)-3-propylaniline
CID 155697680
(3E)-N-ethenyl-4-(3-propylphenyl)penta-1,3-dien-2-amine
CID 144542813

Frequently Asked Questions

What is the IUPAC name of ethane;2-ethenyl-4-(3-methylbut-3-enyl)-1-propylbenzene?
The IUPAC name of ethane;2-ethenyl-4-(3-methylbut-3-enyl)-1-propylbenzene (CID 143112871) is ethane;2-ethenyl-4-(3-methylbut-3-enyl)-1-propylbenzene.
What is the SMILES notation for ethane;2-ethenyl-4-(3-methylbut-3-enyl)-1-propylbenzene?
The canonical SMILES for ethane;2-ethenyl-4-(3-methylbut-3-enyl)-1-propylbenzene is C=Cc1cc(CCC(=C)C)ccc1CCC.CC.CC.
What is the InChIKey of ethane;2-ethenyl-4-(3-methylbut-3-enyl)-1-propylbenzene?
The InChIKey is UPXWPYBVCNOVSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22.2C2H6/c1-5-7-16-11-10-14(9-8-13(3)4)12-15(16)6-2;2*1-2/h6,10-12H,2-3,5,7-9H2,1,4H3;2*1-2H3.
What are the key properties of ethane;2-ethenyl-4-(3-methylbut-3-enyl)-1-propylbenzene?
ethane;2-ethenyl-4-(3-methylbut-3-enyl)-1-propylbenzene has a molecular weight of 274.49 g/mol, XLogP of 6.84, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-ethenyl-4-(3-methylbut-3-enyl)-1-propylbenzene is sourced from PubChem (CID 143112871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).