dec-1-en-5-ylbenzene;dec-9-en-5-ylbenzene

C32H48 — CID 158724514

IUPACdec-1-en-5-ylbenzene;dec-9-en-5-ylbenzene
SMILESC=CCCC(CCCCC)c1ccccc1.C=CCCCC(CCCC)c1ccccc1
InChIInChI=1S/2C16H24/c2*1-3-5-8-12-15(11-6-4-2)16-13-9-7-10-14-16/h4,7,9-10,13-15H,2-3,5-6,8,11-12H2,1H3;3,7,9-10,13-15H,1,4-6,8,11-12H2,2H3
InChIKeyIKIDMYOWJNHOEM-UHFFFAOYSA-N
MW432.74 g/mol
LogP10.63
Rot. Bonds16

About dec-1-en-5-ylbenzene;dec-9-en-5-ylbenzene

dec-1-en-5-ylbenzene;dec-9-en-5-ylbenzene (PubChem CID 158724514) has the molecular formula C32H48 and a molecular weight of 432.74 g/mol. Its IUPAC name is dec-1-en-5-ylbenzene;dec-9-en-5-ylbenzene.

Molecular Properties

Compound Namedec-1-en-5-ylbenzene;dec-9-en-5-ylbenzene
PubChem CID158724514
Molecular FormulaC32H48
Molecular Weight432.74 g/mol
Exact Mass432.38
IUPAC Namedec-1-en-5-ylbenzene;dec-9-en-5-ylbenzene
SMILESC=CCCC(CCCCC)c1ccccc1.C=CCCCC(CCCC)c1ccccc1
InChIInChI=1S/2C16H24/c2*1-3-5-8-12-15(11-6-4-2)16-13-9-7-10-14-16/h4,7,9-10,13-15H,2-3,5-6,8,11-12H2,1H3;3,7,9-10,13-15H,1,4-6,8,11-12H2,2H3
InChIKeyIKIDMYOWJNHOEM-UHFFFAOYSA-N
XLogP10.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds16
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.74
LogP ≤ 510.63
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

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CID 140694824
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10-phenyltetradecan-5-ylbenzene
CID 22891787
icosan-10-ylbenzene
CID 54351357
hentriacontan-13-ylbenzene
CID 91306613
oct-1-en-4-ylbenzene
CID 22247233
heptatriaconta-9,28-dien-19-ylbenzene
CID 173349242
(1-pentyl-3-phenylheptyl)benzene
CID 154153436
4-dodec-1-en-5-ylbenzaldehyde
CID 142767479
CID 58843291
CID 58843291
octan-3-ylbenzene
CID 519547
2-phenyldec-9-en-1-amine
CID 107010668

Frequently Asked Questions

What is the IUPAC name of dec-1-en-5-ylbenzene;dec-9-en-5-ylbenzene?
The IUPAC name of dec-1-en-5-ylbenzene;dec-9-en-5-ylbenzene (CID 158724514) is dec-1-en-5-ylbenzene;dec-9-en-5-ylbenzene.
What is the SMILES notation for dec-1-en-5-ylbenzene;dec-9-en-5-ylbenzene?
The canonical SMILES for dec-1-en-5-ylbenzene;dec-9-en-5-ylbenzene is C=CCCC(CCCCC)c1ccccc1.C=CCCCC(CCCC)c1ccccc1.
What is the InChIKey of dec-1-en-5-ylbenzene;dec-9-en-5-ylbenzene?
The InChIKey is IKIDMYOWJNHOEM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H24/c2*1-3-5-8-12-15(11-6-4-2)16-13-9-7-10-14-16/h4,7,9-10,13-15H,2-3,5-6,8,11-12H2,1H3;3,7,9-10,13-15H,1,4-6,8,11-12H2,2H3.
What are the key properties of dec-1-en-5-ylbenzene;dec-9-en-5-ylbenzene?
dec-1-en-5-ylbenzene;dec-9-en-5-ylbenzene has a molecular weight of 432.74 g/mol, XLogP of 10.63, 16 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dec-1-en-5-ylbenzene;dec-9-en-5-ylbenzene is sourced from PubChem (CID 158724514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).