(1-ethyl-9-phenyldecyl)benzene

C24H34 — CID 154659486

IUPAC(1-ethyl-9-phenyldecyl)benzene
SMILESCCC(CCCCCCCC(C)c1ccccc1)c1ccccc1
InChIInChI=1S/C24H34/c1-3-22(24-19-13-8-14-20-24)16-10-6-4-5-9-15-21(2)23-17-11-7-12-18-23/h7-8,11-14,17-22H,3-6,9-10,15-16H2,1-2H3
InChIKeyVLJYTOZBOBMAJW-UHFFFAOYSA-N
MW322.54 g/mol
LogP7.71
Rot. Bonds11

About (1-ethyl-9-phenyldecyl)benzene

(1-ethyl-9-phenyldecyl)benzene (PubChem CID 154659486) has the molecular formula C24H34 and a molecular weight of 322.54 g/mol. Its IUPAC name is (1-ethyl-9-phenyldecyl)benzene.

Molecular Properties

Compound Name(1-ethyl-9-phenyldecyl)benzene
PubChem CID154659486
Molecular FormulaC24H34
Molecular Weight322.54 g/mol
Exact Mass322.27
IUPAC Name(1-ethyl-9-phenyldecyl)benzene
SMILESCCC(CCCCCCCC(C)c1ccccc1)c1ccccc1
InChIInChI=1S/C24H34/c1-3-22(24-19-13-8-14-20-24)16-10-6-4-5-9-15-21(2)23-17-11-7-12-18-23/h7-8,11-14,17-22H,3-6,9-10,15-16H2,1-2H3
InChIKeyVLJYTOZBOBMAJW-UHFFFAOYSA-N
XLogP7.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.54
LogP ≤ 57.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

ethane;(1-ethyl-5-phenylhexyl)benzene
CID 154659485
octan-3-ylbenzene
CID 519547
1-(5-phenylheptan-2-yl)-4-propan-2-ylbenzene
CID 58836420
heptan-3-ylbenzene;methane
CID 159006232
2,14-diphenylpentadecan-8-ol
CID 71175182
4-[6-(4-hydroxyphenyl)octan-2-yl]phenol
CID 23550616
hentriacontan-13-ylbenzene
CID 91306613
icosan-10-ylbenzene
CID 54351357
2-(6-phenyloctan-2-yl)pyridine
CID 122575770
(3,7-diphenyl-1-propyloctyl)benzene;methane;7-phenyldecan-4-ylbenzene
CID 158364228
1-bromododecan-2-ylbenzene
CID 66043461
10-phenyltetradecan-5-ylbenzene
CID 22891787

Frequently Asked Questions

What is the IUPAC name of (1-ethyl-9-phenyldecyl)benzene?
The IUPAC name of (1-ethyl-9-phenyldecyl)benzene (CID 154659486) is (1-ethyl-9-phenyldecyl)benzene.
What is the SMILES notation for (1-ethyl-9-phenyldecyl)benzene?
The canonical SMILES for (1-ethyl-9-phenyldecyl)benzene is CCC(CCCCCCCC(C)c1ccccc1)c1ccccc1.
What is the InChIKey of (1-ethyl-9-phenyldecyl)benzene?
The InChIKey is VLJYTOZBOBMAJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34/c1-3-22(24-19-13-8-14-20-24)16-10-6-4-5-9-15-21(2)23-17-11-7-12-18-23/h7-8,11-14,17-22H,3-6,9-10,15-16H2,1-2H3.
What are the key properties of (1-ethyl-9-phenyldecyl)benzene?
(1-ethyl-9-phenyldecyl)benzene has a molecular weight of 322.54 g/mol, XLogP of 7.71, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethyl-9-phenyldecyl)benzene is sourced from PubChem (CID 154659486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).