2-[(2E,4E,8Z)-undeca-2,4,8-trien-2-yl]naphthalene

C21H24 — CID 140698391

IUPAC2-[(2E,4E,8Z)-undeca-2,4,8-trien-2-yl]naphthalene
SMILESCC/C=C\CC/C=C/C=C(\C)c1ccc2ccccc2c1
InChIInChI=1S/C21H24/c1-3-4-5-6-7-8-9-12-18(2)20-16-15-19-13-10-11-14-21(19)17-20/h4-5,8-17H,3,6-7H2,1-2H3/b5-4-,9-8+,18-12+
InChIKeyFIJHAYJRFCQMNU-HVHOFLMWSA-N
MW276.42 g/mol
LogP6.55
Rot. Bonds6

About 2-[(2E,4E,8Z)-undeca-2,4,8-trien-2-yl]naphthalene

2-[(2E,4E,8Z)-undeca-2,4,8-trien-2-yl]naphthalene (PubChem CID 140698391) has the molecular formula C21H24 and a molecular weight of 276.42 g/mol. Its IUPAC name is 2-[(2E,4E,8Z)-undeca-2,4,8-trien-2-yl]naphthalene.

Molecular Properties

Compound Name2-[(2E,4E,8Z)-undeca-2,4,8-trien-2-yl]naphthalene
PubChem CID140698391
Molecular FormulaC21H24
Molecular Weight276.42 g/mol
Exact Mass276.19
IUPAC Name2-[(2E,4E,8Z)-undeca-2,4,8-trien-2-yl]naphthalene
SMILESCC/C=C\CC/C=C/C=C(\C)c1ccc2ccccc2c1
InChIInChI=1S/C21H24/c1-3-4-5-6-7-8-9-12-18(2)20-16-15-19-13-10-11-14-21(19)17-20/h4-5,8-17H,3,6-7H2,1-2H3/b5-4-,9-8+,18-12+
InChIKeyFIJHAYJRFCQMNU-HVHOFLMWSA-N
XLogP6.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.42
LogP ≤ 56.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-[(2Z,8E)-undeca-2,8-dien-2-yl]naphthalene
CID 172611470
2-[(8Z)-undeca-2,8-dien-2-yl]naphthalene
CID 172611459
(E)-2-naphthalen-2-ylprop-1-en-1-ol
CID 70376926
ethyl (2E,4E,6Z)-3-methyl-7-naphthalen-2-ylocta-2,4,6-trienoate
CID 88629687
anthracene;(E)-hex-3-ene;propane
CID 144562643
methyl (2E,4E)-2-methoxy-5-naphthalen-2-ylhexa-2,4-dienoate
CID 139785095
2-(1-phenoxyprop-1-en-2-yl)naphthalene
CID 175768409
3-naphthalen-2-ylbut-2-enoyl chloride
CID 91215732
2-(4-phenoxybut-2-en-2-yl)naphthalene
CID 141037566
1-[(2E,4Z)-hepta-2,4-dien-2-yl]-4-(4-methylphenoxy)benzene
CID 143744934
(E)-1-naphthalen-2-ylhex-2-en-1-one
CID 22625485
2-[(E)-pentadec-12-enyl]naphthalene
CID 101307544

Frequently Asked Questions

What is the IUPAC name of 2-[(2E,4E,8Z)-undeca-2,4,8-trien-2-yl]naphthalene?
The IUPAC name of 2-[(2E,4E,8Z)-undeca-2,4,8-trien-2-yl]naphthalene (CID 140698391) is 2-[(2E,4E,8Z)-undeca-2,4,8-trien-2-yl]naphthalene.
What is the SMILES notation for 2-[(2E,4E,8Z)-undeca-2,4,8-trien-2-yl]naphthalene?
The canonical SMILES for 2-[(2E,4E,8Z)-undeca-2,4,8-trien-2-yl]naphthalene is CC/C=C\CC/C=C/C=C(\C)c1ccc2ccccc2c1.
What is the InChIKey of 2-[(2E,4E,8Z)-undeca-2,4,8-trien-2-yl]naphthalene?
The InChIKey is FIJHAYJRFCQMNU-HVHOFLMWSA-N. The full InChI is InChI=1S/C21H24/c1-3-4-5-6-7-8-9-12-18(2)20-16-15-19-13-10-11-14-21(19)17-20/h4-5,8-17H,3,6-7H2,1-2H3/b5-4-,9-8+,18-12+.
What are the key properties of 2-[(2E,4E,8Z)-undeca-2,4,8-trien-2-yl]naphthalene?
2-[(2E,4E,8Z)-undeca-2,4,8-trien-2-yl]naphthalene has a molecular weight of 276.42 g/mol, XLogP of 6.55, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2E,4E,8Z)-undeca-2,4,8-trien-2-yl]naphthalene is sourced from PubChem (CID 140698391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).