(1-but-3-enyl-10-phenyldodec-5-enyl)benzene

C28H38 — CID 173200761

IUPAC(1-but-3-enyl-10-phenyldodec-5-enyl)benzene
SMILESC=CCCC(CCCC=CCCCC(CC)c1ccccc1)c1ccccc1
InChIInChI=1S/C28H38/c1-3-5-18-27(28-23-16-11-17-24-28)22-13-9-7-6-8-12-19-25(4-2)26-20-14-10-15-21-26/h3,6-7,10-11,14-17,20-21,23-25,27H,1,4-5,8-9,12-13,18-19,22H2,2H3
InChIKeyZXXSDGGKDOOHHU-UHFFFAOYSA-N
MW374.61 g/mol
LogP8.83
Rot. Bonds14

About (1-but-3-enyl-10-phenyldodec-5-enyl)benzene

(1-but-3-enyl-10-phenyldodec-5-enyl)benzene (PubChem CID 173200761) has the molecular formula C28H38 and a molecular weight of 374.61 g/mol. Its IUPAC name is (1-but-3-enyl-10-phenyldodec-5-enyl)benzene.

Molecular Properties

Compound Name(1-but-3-enyl-10-phenyldodec-5-enyl)benzene
PubChem CID173200761
Molecular FormulaC28H38
Molecular Weight374.61 g/mol
Exact Mass374.30
IUPAC Name(1-but-3-enyl-10-phenyldodec-5-enyl)benzene
SMILESC=CCCC(CCCC=CCCCC(CC)c1ccccc1)c1ccccc1
InChIInChI=1S/C28H38/c1-3-5-18-27(28-23-16-11-17-24-28)22-13-9-7-6-8-12-19-25(4-2)26-20-14-10-15-21-26/h3,6-7,10-11,14-17,20-21,23-25,27H,1,4-5,8-9,12-13,18-19,22H2,2H3
InChIKeyZXXSDGGKDOOHHU-UHFFFAOYSA-N
XLogP8.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.61
LogP ≤ 58.83
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

dec-1-en-5-ylbenzene;dec-9-en-5-ylbenzene
CID 158724514
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CID 22053894
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CID 140694824
heptatriaconta-9,28-dien-19-ylbenzene
CID 173349242
octan-3-ylbenzene
CID 519547
heptan-3-ylbenzene;methane
CID 159006232
oct-1-en-4-ylbenzene
CID 22247233
ethane;(1-ethyl-5-phenylhexyl)benzene
CID 154659485
(1-ethyl-9-phenyldecyl)benzene
CID 154659486
10-phenyltetradecan-5-ylbenzene
CID 22891787
2-phenyldec-9-en-1-amine
CID 107010668
[(Z)-1-ethyl-7-phenyloct-3-enyl]benzene
CID 58843288

Frequently Asked Questions

What is the IUPAC name of (1-but-3-enyl-10-phenyldodec-5-enyl)benzene?
The IUPAC name of (1-but-3-enyl-10-phenyldodec-5-enyl)benzene (CID 173200761) is (1-but-3-enyl-10-phenyldodec-5-enyl)benzene.
What is the SMILES notation for (1-but-3-enyl-10-phenyldodec-5-enyl)benzene?
The canonical SMILES for (1-but-3-enyl-10-phenyldodec-5-enyl)benzene is C=CCCC(CCCC=CCCCC(CC)c1ccccc1)c1ccccc1.
What is the InChIKey of (1-but-3-enyl-10-phenyldodec-5-enyl)benzene?
The InChIKey is ZXXSDGGKDOOHHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38/c1-3-5-18-27(28-23-16-11-17-24-28)22-13-9-7-6-8-12-19-25(4-2)26-20-14-10-15-21-26/h3,6-7,10-11,14-17,20-21,23-25,27H,1,4-5,8-9,12-13,18-19,22H2,2H3.
What are the key properties of (1-but-3-enyl-10-phenyldodec-5-enyl)benzene?
(1-but-3-enyl-10-phenyldodec-5-enyl)benzene has a molecular weight of 374.61 g/mol, XLogP of 8.83, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1-but-3-enyl-10-phenyldodec-5-enyl)benzene is sourced from PubChem (CID 173200761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).