ethane;[(5E)-5-ethenylocta-5,7-dien-4-yl]benzene;methane

C21H38 — CID 142240938

IUPACethane;[(5E)-5-ethenylocta-5,7-dien-4-yl]benzene;methane
SMILESC.C.C.C=C/C=C(\C=C)C(CCC)c1ccccc1.CC
InChIInChI=1S/C16H20.C2H6.3CH4/c1-4-10-14(6-3)16(11-5-2)15-12-8-7-9-13-15;1-2;;;/h4,6-10,12-13,16H,1,3,5,11H2,2H3;1-2H3;3*1H4/b14-10+;;;;
InChIKeyATPUCKHXDVCVPP-YOCKTNRLSA-N
MW290.53 g/mol
LogP7.80
Rot. Bonds6

About ethane;[(5E)-5-ethenylocta-5,7-dien-4-yl]benzene;methane

ethane;[(5E)-5-ethenylocta-5,7-dien-4-yl]benzene;methane (PubChem CID 142240938) has the molecular formula C21H38 and a molecular weight of 290.53 g/mol. Its IUPAC name is ethane;[(5E)-5-ethenylocta-5,7-dien-4-yl]benzene;methane.

Molecular Properties

Compound Nameethane;[(5E)-5-ethenylocta-5,7-dien-4-yl]benzene;methane
PubChem CID142240938
Molecular FormulaC21H38
Molecular Weight290.53 g/mol
Exact Mass290.30
IUPAC Nameethane;[(5E)-5-ethenylocta-5,7-dien-4-yl]benzene;methane
SMILESC.C.C.C=C/C=C(\C=C)C(CCC)c1ccccc1.CC
InChIInChI=1S/C16H20.C2H6.3CH4/c1-4-10-14(6-3)16(11-5-2)15-12-8-7-9-13-15;1-2;;;/h4,6-10,12-13,16H,1,3,5,11H2,2H3;1-2H3;3*1H4/b14-10+;;;;
InChIKeyATPUCKHXDVCVPP-YOCKTNRLSA-N
XLogP7.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.53
LogP ≤ 57.80
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

ethane;[(3E)-3-ethenylhexa-3,5-dien-2-yl]benzene;methane
CID 177324817
(1Z,3E)-4-ethenyl-5-phenylnona-1,3-dien-1-amine
CID 88534907
(4E)-4-ethenyl-3-phenylhepta-1,4,6-trien-2-ol
CID 142139727
ethane;propan-2-yl 2-phenylpentanoate
CID 145424000
ethane;(3E)-4-ethenyl-5,6-dimethylnona-1,3-diene
CID 143267844
(E)-3-ethenyl-N-methyl-2-phenylhept-3-en-1-amine
CID 89029192
1-chloro-2-[(2E)-2-ethenyl-1-phenylpenta-2,4-dienyl]benzene
CID 134482693
(4E)-1-chloro-4-ethenyl-3-phenylhepta-4,6-dien-2-one
CID 145368331
ethane;[(3E)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-yl]benzene
CID 143204941
(4Z)-4-ethenyl-1-phenylhepta-4,6-dien-1-ol
CID 142924342
ethane;[(2Z)-2-ethenylpenta-2,4-dienyl]benzene;propane
CID 143940150
1-(azocan-1-yl)-2-phenylpentan-1-one
CID 55354834

Frequently Asked Questions

What is the IUPAC name of ethane;[(5E)-5-ethenylocta-5,7-dien-4-yl]benzene;methane?
The IUPAC name of ethane;[(5E)-5-ethenylocta-5,7-dien-4-yl]benzene;methane (CID 142240938) is ethane;[(5E)-5-ethenylocta-5,7-dien-4-yl]benzene;methane.
What is the SMILES notation for ethane;[(5E)-5-ethenylocta-5,7-dien-4-yl]benzene;methane?
The canonical SMILES for ethane;[(5E)-5-ethenylocta-5,7-dien-4-yl]benzene;methane is C.C.C.C=C/C=C(\C=C)C(CCC)c1ccccc1.CC.
What is the InChIKey of ethane;[(5E)-5-ethenylocta-5,7-dien-4-yl]benzene;methane?
The InChIKey is ATPUCKHXDVCVPP-YOCKTNRLSA-N. The full InChI is InChI=1S/C16H20.C2H6.3CH4/c1-4-10-14(6-3)16(11-5-2)15-12-8-7-9-13-15;1-2;;;/h4,6-10,12-13,16H,1,3,5,11H2,2H3;1-2H3;3*1H4/b14-10+;;;;.
What are the key properties of ethane;[(5E)-5-ethenylocta-5,7-dien-4-yl]benzene;methane?
ethane;[(5E)-5-ethenylocta-5,7-dien-4-yl]benzene;methane has a molecular weight of 290.53 g/mol, XLogP of 7.80, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;[(5E)-5-ethenylocta-5,7-dien-4-yl]benzene;methane is sourced from PubChem (CID 142240938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).