1-[(3E,5E)-5-ethenylocta-1,3,5,7-tetraen-3-yl]naphthalene

C20H18 — CID 140635953

IUPAC1-[(3E,5E)-5-ethenylocta-1,3,5,7-tetraen-3-yl]naphthalene
SMILESC=C/C=C(C=C)/C=C(\C=C)c1cccc2ccccc12
InChIInChI=1S/C20H18/c1-4-10-16(5-2)15-17(6-3)19-14-9-12-18-11-7-8-13-20(18)19/h4-15H,1-3H2/b16-10+,17-15+
InChIKeyPOSOVAJEEGDUMH-AMRBXKIKSA-N
MW258.36 g/mol
LogP5.71
Rot. Bonds5

About 1-[(3E,5E)-5-ethenylocta-1,3,5,7-tetraen-3-yl]naphthalene

1-[(3E,5E)-5-ethenylocta-1,3,5,7-tetraen-3-yl]naphthalene (PubChem CID 140635953) has the molecular formula C20H18 and a molecular weight of 258.36 g/mol. Its IUPAC name is 1-[(3E,5E)-5-ethenylocta-1,3,5,7-tetraen-3-yl]naphthalene.

Molecular Properties

Compound Name1-[(3E,5E)-5-ethenylocta-1,3,5,7-tetraen-3-yl]naphthalene
PubChem CID140635953
Molecular FormulaC20H18
Molecular Weight258.36 g/mol
Exact Mass258.14
IUPAC Name1-[(3E,5E)-5-ethenylocta-1,3,5,7-tetraen-3-yl]naphthalene
SMILESC=C/C=C(C=C)/C=C(\C=C)c1cccc2ccccc12
InChIInChI=1S/C20H18/c1-4-10-16(5-2)15-17(6-3)19-14-9-12-18-11-7-8-13-20(18)19/h4-15H,1-3H2/b16-10+,17-15+
InChIKeyPOSOVAJEEGDUMH-AMRBXKIKSA-N
XLogP5.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500258.36
LogP ≤ 55.71
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-[(3E,5Z)-hepta-1,3,5-trien-4-yl]naphthalene
CID 142474091
9-naphthalen-1-yl-10-[5-[(3E)-penta-1,3-dien-3-yl]naphthalen-1-yl]anthracene
CID 144925092
1-naphthalen-1-ylbut-3-en-1-one
CID 11030731
azane;1-prop-1-en-2-ylnaphthalene
CID 122612227
ethene;(Z)-2-naphthalen-1-ylbut-2-enedioic acid
CID 175176672
1-bromo-2-[(3E)-hexa-1,3,5-trien-3-yl]benzene;ethane
CID 145141149
N-methyl-2-naphthalen-1-ylprop-2-en-1-imine
CID 139239744
(Z)-3-naphthalen-1-ylbut-2-enal
CID 138583647
1-[1-[3,5-bis(1-naphthalen-1-ylethenyl)phenyl]ethenyl]naphthalene
CID 123405020
3-[bis(prop-2-enyl)amino]-1-naphthalen-1-ylpropan-1-one
CID 110175440
16-[(3E)-hexa-1,3,5-trien-3-yl]-7-phenylheptacyclo[18.7.1.02,19.04,17.05,14.08,13.024,28]octacosa-1(27),2(19),3,5(14),6,8,10,12,15,17,20,22,24(28),25-tetradecaene
CID 158905103
9-[3-[(3E)-hexa-1,3,5-trien-3-yl]-5-phenylphenyl]-10-naphthalen-1-ylanthracene
CID 159326588

Frequently Asked Questions

What is the IUPAC name of 1-[(3E,5E)-5-ethenylocta-1,3,5,7-tetraen-3-yl]naphthalene?
The IUPAC name of 1-[(3E,5E)-5-ethenylocta-1,3,5,7-tetraen-3-yl]naphthalene (CID 140635953) is 1-[(3E,5E)-5-ethenylocta-1,3,5,7-tetraen-3-yl]naphthalene.
What is the SMILES notation for 1-[(3E,5E)-5-ethenylocta-1,3,5,7-tetraen-3-yl]naphthalene?
The canonical SMILES for 1-[(3E,5E)-5-ethenylocta-1,3,5,7-tetraen-3-yl]naphthalene is C=C/C=C(C=C)/C=C(\C=C)c1cccc2ccccc12.
What is the InChIKey of 1-[(3E,5E)-5-ethenylocta-1,3,5,7-tetraen-3-yl]naphthalene?
The InChIKey is POSOVAJEEGDUMH-AMRBXKIKSA-N. The full InChI is InChI=1S/C20H18/c1-4-10-16(5-2)15-17(6-3)19-14-9-12-18-11-7-8-13-20(18)19/h4-15H,1-3H2/b16-10+,17-15+.
What are the key properties of 1-[(3E,5E)-5-ethenylocta-1,3,5,7-tetraen-3-yl]naphthalene?
1-[(3E,5E)-5-ethenylocta-1,3,5,7-tetraen-3-yl]naphthalene has a molecular weight of 258.36 g/mol, XLogP of 5.71, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3E,5E)-5-ethenylocta-1,3,5,7-tetraen-3-yl]naphthalene is sourced from PubChem (CID 140635953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).