[(4Z)-8-methylnona-4,8-dienyl]benzene

C16H22 — CID 10775019

IUPAC[(4Z)-8-methylnona-4,8-dienyl]benzene
SMILESC=C(C)CC/C=C\CCCc1ccccc1
InChIInChI=1S/C16H22/c1-15(2)11-7-4-3-5-8-12-16-13-9-6-10-14-16/h3-4,6,9-10,13-14H,1,5,7-8,11-12H2,2H3/b4-3-
InChIKeySLLKQULMQSVVCS-ARJAWSKDSA-N
MW214.35 g/mol
LogP4.92
Rot. Bonds7

About [(4Z)-8-methylnona-4,8-dienyl]benzene

[(4Z)-8-methylnona-4,8-dienyl]benzene (PubChem CID 10775019) has the molecular formula C16H22 and a molecular weight of 214.35 g/mol. Its IUPAC name is [(4Z)-8-methylnona-4,8-dienyl]benzene.

Molecular Properties

Compound Name[(4Z)-8-methylnona-4,8-dienyl]benzene
PubChem CID10775019
Molecular FormulaC16H22
Molecular Weight214.35 g/mol
Exact Mass214.17
IUPAC Name[(4Z)-8-methylnona-4,8-dienyl]benzene
SMILESC=C(C)CC/C=C\CCCc1ccccc1
InChIInChI=1S/C16H22/c1-15(2)11-7-4-3-5-8-12-16-13-9-6-10-14-16/h3-4,6,9-10,13-14H,1,5,7-8,11-12H2,2H3/b4-3-
InChIKeySLLKQULMQSVVCS-ARJAWSKDSA-N
XLogP4.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 54.92
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

Biphenyl
CID 7095
Toluene
CID 1140
O-Xylene
CID 7237
Alpha-Methylstyrene
CID 7407
Ethylbenzene
CID 7500
Styrene
CID 7501
M-Xylene
CID 7929
P-Xylene
CID 7809
P-Cymene
CID 7463
Indene
CID 7219
Cumene
CID 7406
Butylbenzene
CID 7705

Frequently Asked Questions

What is the IUPAC name of [(4Z)-8-methylnona-4,8-dienyl]benzene?
The IUPAC name of [(4Z)-8-methylnona-4,8-dienyl]benzene (CID 10775019) is [(4Z)-8-methylnona-4,8-dienyl]benzene.
What is the SMILES notation for [(4Z)-8-methylnona-4,8-dienyl]benzene?
The canonical SMILES for [(4Z)-8-methylnona-4,8-dienyl]benzene is C=C(C)CC/C=C\CCCc1ccccc1.
What is the InChIKey of [(4Z)-8-methylnona-4,8-dienyl]benzene?
The InChIKey is SLLKQULMQSVVCS-ARJAWSKDSA-N. The full InChI is InChI=1S/C16H22/c1-15(2)11-7-4-3-5-8-12-16-13-9-6-10-14-16/h3-4,6,9-10,13-14H,1,5,7-8,11-12H2,2H3/b4-3-.
What are the key properties of [(4Z)-8-methylnona-4,8-dienyl]benzene?
[(4Z)-8-methylnona-4,8-dienyl]benzene has a molecular weight of 214.35 g/mol, XLogP of 4.92, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(4Z)-8-methylnona-4,8-dienyl]benzene is sourced from PubChem (CID 10775019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).