2-[(8Z)-undeca-2,8-dien-2-yl]naphthalene

C21H26 — CID 172611459

IUPAC2-[(8Z)-undeca-2,8-dien-2-yl]naphthalene
SMILESCC/C=C\CCCCC=C(C)c1ccc2ccccc2c1
InChIInChI=1S/C21H26/c1-3-4-5-6-7-8-9-12-18(2)20-16-15-19-13-10-11-14-21(19)17-20/h4-5,10-17H,3,6-9H2,1-2H3/b5-4-,18-12?
InChIKeySLWZHCLVXXOALJ-XABJMEJQSA-N
MW278.44 g/mol
LogP6.77
Rot. Bonds7

About 2-[(8Z)-undeca-2,8-dien-2-yl]naphthalene

2-[(8Z)-undeca-2,8-dien-2-yl]naphthalene (PubChem CID 172611459) has the molecular formula C21H26 and a molecular weight of 278.44 g/mol. Its IUPAC name is 2-[(8Z)-undeca-2,8-dien-2-yl]naphthalene.

Molecular Properties

Compound Name2-[(8Z)-undeca-2,8-dien-2-yl]naphthalene
PubChem CID172611459
Molecular FormulaC21H26
Molecular Weight278.44 g/mol
Exact Mass278.20
IUPAC Name2-[(8Z)-undeca-2,8-dien-2-yl]naphthalene
SMILESCC/C=C\CCCCC=C(C)c1ccc2ccccc2c1
InChIInChI=1S/C21H26/c1-3-4-5-6-7-8-9-12-18(2)20-16-15-19-13-10-11-14-21(19)17-20/h4-5,10-17H,3,6-9H2,1-2H3/b5-4-,18-12?
InChIKeySLWZHCLVXXOALJ-XABJMEJQSA-N
XLogP6.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.44
LogP ≤ 56.77
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'}

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Related Compounds

2-[(2Z,8E)-undeca-2,8-dien-2-yl]naphthalene
CID 172611470
2-[(2E,4E,8Z)-undeca-2,4,8-trien-2-yl]naphthalene
CID 140698391
2-[(E)-pentadec-12-enyl]naphthalene
CID 101307544
(E)-2-naphthalen-2-ylprop-1-en-1-ol
CID 70376926
2-(4-phenoxybut-2-en-2-yl)naphthalene
CID 141037566
anthracene;(E)-hex-3-ene;propane
CID 144562643
2-[(2E)-5-methylhexa-2,5-dien-2-yl]naphthalene;1,4-xylene
CID 142975570
(2R)-2-(4-naphthalen-2-ylpent-3-enoxy)butanedioic acid
CID 67581402
2-[(E)-docos-1-enyl]naphthalene
CID 101307759
2-[(E)-dodec-1-enyl]naphthalene
CID 101304399
(Z,2R)-2-(naphthalene-2-carbonyloxy)dec-4-enoic acid
CID 102123848
3-naphthalen-2-ylbut-2-enoyl chloride
CID 91215732

Frequently Asked Questions

What is the IUPAC name of 2-[(8Z)-undeca-2,8-dien-2-yl]naphthalene?
The IUPAC name of 2-[(8Z)-undeca-2,8-dien-2-yl]naphthalene (CID 172611459) is 2-[(8Z)-undeca-2,8-dien-2-yl]naphthalene.
What is the SMILES notation for 2-[(8Z)-undeca-2,8-dien-2-yl]naphthalene?
The canonical SMILES for 2-[(8Z)-undeca-2,8-dien-2-yl]naphthalene is CC/C=C\CCCCC=C(C)c1ccc2ccccc2c1.
What is the InChIKey of 2-[(8Z)-undeca-2,8-dien-2-yl]naphthalene?
The InChIKey is SLWZHCLVXXOALJ-XABJMEJQSA-N. The full InChI is InChI=1S/C21H26/c1-3-4-5-6-7-8-9-12-18(2)20-16-15-19-13-10-11-14-21(19)17-20/h4-5,10-17H,3,6-9H2,1-2H3/b5-4-,18-12?.
What are the key properties of 2-[(8Z)-undeca-2,8-dien-2-yl]naphthalene?
2-[(8Z)-undeca-2,8-dien-2-yl]naphthalene has a molecular weight of 278.44 g/mol, XLogP of 6.77, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(8Z)-undeca-2,8-dien-2-yl]naphthalene is sourced from PubChem (CID 172611459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).