1-ethyl-4-(8-ethyl-7-methyltridecan-5-yl)benzene

C24H42 — CID 144851455

IUPAC1-ethyl-4-(8-ethyl-7-methyltridecan-5-yl)benzene
SMILESCCCCCC(CC)C(C)CC(CCCC)c1ccc(CC)cc1
InChIInChI=1S/C24H42/c1-6-10-12-14-22(9-4)20(5)19-24(13-11-7-2)23-17-15-21(8-3)16-18-23/h15-18,20,22,24H,6-14,19H2,1-5H3
InChIKeyKIUYPTZVSQTPAE-UHFFFAOYSA-N
MW330.60 g/mol
LogP8.16
Rot. Bonds13

About 1-ethyl-4-(8-ethyl-7-methyltridecan-5-yl)benzene

1-ethyl-4-(8-ethyl-7-methyltridecan-5-yl)benzene (PubChem CID 144851455) has the molecular formula C24H42 and a molecular weight of 330.60 g/mol. Its IUPAC name is 1-ethyl-4-(8-ethyl-7-methyltridecan-5-yl)benzene.

Molecular Properties

Compound Name1-ethyl-4-(8-ethyl-7-methyltridecan-5-yl)benzene
PubChem CID144851455
Molecular FormulaC24H42
Molecular Weight330.60 g/mol
Exact Mass330.33
IUPAC Name1-ethyl-4-(8-ethyl-7-methyltridecan-5-yl)benzene
SMILESCCCCCC(CC)C(C)CC(CCCC)c1ccc(CC)cc1
InChIInChI=1S/C24H42/c1-6-10-12-14-22(9-4)20(5)19-24(13-11-7-2)23-17-15-21(8-3)16-18-23/h15-18,20,22,24H,6-14,19H2,1-5H3
InChIKeyKIUYPTZVSQTPAE-UHFFFAOYSA-N
XLogP8.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.60
LogP ≤ 58.16
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

(8-ethyl-7-methyltridecan-5-yl)benzene
CID 144851446
1-ethyl-4-undecan-4-ylbenzene
CID 14568440
(1-pentyl-3-phenylheptyl)benzene
CID 154153436
[(6R)-7-ethyl-6-methylnonan-4-yl]benzene
CID 153439336
1-(1-bromohexyl)-4-ethylbenzene
CID 63440069
5,6-diethyldodecane
CID 90761715
1-heptan-3-yl-4-propan-2-ylbenzene
CID 58413560
(4-dodecan-6-ylphenyl)methanamine
CID 130348260
1-(4-ethylphenyl)decan-1-amine
CID 63412475
8-ethyl-7-methylhexadecane
CID 56974440
4-ethyl-3-methylundecane
CID 57279647
5-butyl-6-ethyldodecane
CID 529932

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-(8-ethyl-7-methyltridecan-5-yl)benzene?
The IUPAC name of 1-ethyl-4-(8-ethyl-7-methyltridecan-5-yl)benzene (CID 144851455) is 1-ethyl-4-(8-ethyl-7-methyltridecan-5-yl)benzene.
What is the SMILES notation for 1-ethyl-4-(8-ethyl-7-methyltridecan-5-yl)benzene?
The canonical SMILES for 1-ethyl-4-(8-ethyl-7-methyltridecan-5-yl)benzene is CCCCCC(CC)C(C)CC(CCCC)c1ccc(CC)cc1.
What is the InChIKey of 1-ethyl-4-(8-ethyl-7-methyltridecan-5-yl)benzene?
The InChIKey is KIUYPTZVSQTPAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H42/c1-6-10-12-14-22(9-4)20(5)19-24(13-11-7-2)23-17-15-21(8-3)16-18-23/h15-18,20,22,24H,6-14,19H2,1-5H3.
What are the key properties of 1-ethyl-4-(8-ethyl-7-methyltridecan-5-yl)benzene?
1-ethyl-4-(8-ethyl-7-methyltridecan-5-yl)benzene has a molecular weight of 330.60 g/mol, XLogP of 8.16, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(8-ethyl-7-methyltridecan-5-yl)benzene is sourced from PubChem (CID 144851455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).