1-ethyl-4-[(3Z,5Z)-5-methylhepta-1,3,5-trien-2-yl]benzene

C16H20 — CID 142017395

IUPAC1-ethyl-4-[(3Z,5Z)-5-methylhepta-1,3,5-trien-2-yl]benzene
SMILESC=C(/C=C\C(C)=C/C)c1ccc(CC)cc1
InChIInChI=1S/C16H20/c1-5-13(3)7-8-14(4)16-11-9-15(6-2)10-12-16/h5,7-12H,4,6H2,1-3H3/b8-7-,13-5-
InChIKeyVYAQMFVUIKNYPG-UIBQPLJQSA-N
MW212.34 g/mol
LogP4.78
Rot. Bonds4

About 1-ethyl-4-[(3Z,5Z)-5-methylhepta-1,3,5-trien-2-yl]benzene

1-ethyl-4-[(3Z,5Z)-5-methylhepta-1,3,5-trien-2-yl]benzene (PubChem CID 142017395) has the molecular formula C16H20 and a molecular weight of 212.34 g/mol. Its IUPAC name is 1-ethyl-4-[(3Z,5Z)-5-methylhepta-1,3,5-trien-2-yl]benzene.

Molecular Properties

Compound Name1-ethyl-4-[(3Z,5Z)-5-methylhepta-1,3,5-trien-2-yl]benzene
PubChem CID142017395
Molecular FormulaC16H20
Molecular Weight212.34 g/mol
Exact Mass212.16
IUPAC Name1-ethyl-4-[(3Z,5Z)-5-methylhepta-1,3,5-trien-2-yl]benzene
SMILESC=C(/C=C\C(C)=C/C)c1ccc(CC)cc1
InChIInChI=1S/C16H20/c1-5-13(3)7-8-14(4)16-11-9-15(6-2)10-12-16/h5,7-12H,4,6H2,1-3H3/b8-7-,13-5-
InChIKeyVYAQMFVUIKNYPG-UIBQPLJQSA-N
XLogP4.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-4-[(3Z,5Z)-5-methylhepta-1,3,5-trien-2-yl]benzene;methane
CID 142017394
ethane;1-ethyl-4-[(3Z)-hexa-1,3,5-trien-2-yl]benzene
CID 143259588
1-[(E)-but-2-en-2-yl]-4-ethylbenzene
CID 19784779
ethane;1-(4-ethylphenyl)ethenamine
CID 143067689
1-(4-ethylphenyl)ethanone;formaldehyde
CID 143666715
1-ethyl-4-[(Z)-2-methylidenepent-3-enyl]benzene
CID 144912903
1-ethyl-4-(4-methylpenta-1,3-dien-3-yl)benzene
CID 143743129
1-(4-ethylphenyl)-2-methylidenebutan-1-one
CID 139929668
1-ethyl-4-(1-methoxyethenyl)benzene
CID 89277567
1,4-bis(4-ethylphenyl)benzene;bis(2-methylbuta-1,3-diene)
CID 145217101
1-ethyl-4-pent-2-en-2-ylbenzene
CID 123446481
[(Z)-1-(4-ethylphenyl)-4,5,5,5-tetrafluoropent-1-enyl]hydrazine;fluoromethane;(3Z,5Z)-2-methoxy-5-methylhepta-1,3,5-triene
CID 142903426

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[(3Z,5Z)-5-methylhepta-1,3,5-trien-2-yl]benzene?
The IUPAC name of 1-ethyl-4-[(3Z,5Z)-5-methylhepta-1,3,5-trien-2-yl]benzene (CID 142017395) is 1-ethyl-4-[(3Z,5Z)-5-methylhepta-1,3,5-trien-2-yl]benzene.
What is the SMILES notation for 1-ethyl-4-[(3Z,5Z)-5-methylhepta-1,3,5-trien-2-yl]benzene?
The canonical SMILES for 1-ethyl-4-[(3Z,5Z)-5-methylhepta-1,3,5-trien-2-yl]benzene is C=C(/C=C\C(C)=C/C)c1ccc(CC)cc1.
What is the InChIKey of 1-ethyl-4-[(3Z,5Z)-5-methylhepta-1,3,5-trien-2-yl]benzene?
The InChIKey is VYAQMFVUIKNYPG-UIBQPLJQSA-N. The full InChI is InChI=1S/C16H20/c1-5-13(3)7-8-14(4)16-11-9-15(6-2)10-12-16/h5,7-12H,4,6H2,1-3H3/b8-7-,13-5-.
What are the key properties of 1-ethyl-4-[(3Z,5Z)-5-methylhepta-1,3,5-trien-2-yl]benzene?
1-ethyl-4-[(3Z,5Z)-5-methylhepta-1,3,5-trien-2-yl]benzene has a molecular weight of 212.34 g/mol, XLogP of 4.78, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[(3Z,5Z)-5-methylhepta-1,3,5-trien-2-yl]benzene is sourced from PubChem (CID 142017395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).