ethane;1-ethenyl-4-ethyl-2-[(Z)-3-methylbut-1-enyl]benzene

C17H26 — CID 142526011

IUPACethane;1-ethenyl-4-ethyl-2-[(Z)-3-methylbut-1-enyl]benzene
SMILESC=Cc1ccc(CC)cc1/C=C\C(C)C.CC
InChIInChI=1S/C15H20.C2H6/c1-5-13-8-10-14(6-2)15(11-13)9-7-12(3)4;1-2/h6-12H,2,5H2,1,3-4H3;1-2H3/b9-7-;
InChIKeyPUVWKWVTGWOAFZ-VILQZVERSA-N
MW230.39 g/mol
LogP5.59
Rot. Bonds4

About ethane;1-ethenyl-4-ethyl-2-[(Z)-3-methylbut-1-enyl]benzene

ethane;1-ethenyl-4-ethyl-2-[(Z)-3-methylbut-1-enyl]benzene (PubChem CID 142526011) has the molecular formula C17H26 and a molecular weight of 230.39 g/mol. Its IUPAC name is ethane;1-ethenyl-4-ethyl-2-[(Z)-3-methylbut-1-enyl]benzene.

Molecular Properties

Compound Nameethane;1-ethenyl-4-ethyl-2-[(Z)-3-methylbut-1-enyl]benzene
PubChem CID142526011
Molecular FormulaC17H26
Molecular Weight230.39 g/mol
Exact Mass230.20
IUPAC Nameethane;1-ethenyl-4-ethyl-2-[(Z)-3-methylbut-1-enyl]benzene
SMILESC=Cc1ccc(CC)cc1/C=C\C(C)C.CC
InChIInChI=1S/C15H20.C2H6/c1-5-13-8-10-14(6-2)15(11-13)9-7-12(3)4;1-2/h6-12H,2,5H2,1,3-4H3;1-2H3/b9-7-;
InChIKeyPUVWKWVTGWOAFZ-VILQZVERSA-N
XLogP5.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500230.39
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 156753876
1,2-bis(ethenyl)-4-propylbenzene
CID 142025634
4-ethenyl-3-[(Z)-3-methylbut-1-enyl]pyridine
CID 142220960
[3-methanimidoyl-4-[(Z)-3-methylbut-1-enyl]phenyl]methanol
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2-ethenyl-4-methyl-1-(3-methylpent-1-enyl)benzene
CID 123226279
[3,4-bis(ethenyl)phenyl]methylphosphane
CID 166143558
(Z)-2-(5-ethyl-2-propan-2-ylphenyl)ethenamine
CID 134408617
1,2-bis(ethenyl)benzene;1,3-bis(ethenyl)benzene;1,4-bis(ethenyl)benzene;1-ethenyl-4-ethylbenzene
CID 137319863
2-ethenyl-1-ethyl-4-prop-2-enylbenzene
CID 123275619
2,3-bis(ethenyl)-6-ethyl-1-benzofuran;ethane
CID 142061376

Frequently Asked Questions

What is the IUPAC name of ethane;1-ethenyl-4-ethyl-2-[(Z)-3-methylbut-1-enyl]benzene?
The IUPAC name of ethane;1-ethenyl-4-ethyl-2-[(Z)-3-methylbut-1-enyl]benzene (CID 142526011) is ethane;1-ethenyl-4-ethyl-2-[(Z)-3-methylbut-1-enyl]benzene.
What is the SMILES notation for ethane;1-ethenyl-4-ethyl-2-[(Z)-3-methylbut-1-enyl]benzene?
The canonical SMILES for ethane;1-ethenyl-4-ethyl-2-[(Z)-3-methylbut-1-enyl]benzene is C=Cc1ccc(CC)cc1/C=C\C(C)C.CC.
What is the InChIKey of ethane;1-ethenyl-4-ethyl-2-[(Z)-3-methylbut-1-enyl]benzene?
The InChIKey is PUVWKWVTGWOAFZ-VILQZVERSA-N. The full InChI is InChI=1S/C15H20.C2H6/c1-5-13-8-10-14(6-2)15(11-13)9-7-12(3)4;1-2/h6-12H,2,5H2,1,3-4H3;1-2H3/b9-7-;.
What are the key properties of ethane;1-ethenyl-4-ethyl-2-[(Z)-3-methylbut-1-enyl]benzene?
ethane;1-ethenyl-4-ethyl-2-[(Z)-3-methylbut-1-enyl]benzene has a molecular weight of 230.39 g/mol, XLogP of 5.59, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-ethenyl-4-ethyl-2-[(Z)-3-methylbut-1-enyl]benzene is sourced from PubChem (CID 142526011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).