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

C22H38 — CID 144851446

IUPAC(8-ethyl-7-methyltridecan-5-yl)benzene
SMILESCCCCCC(CC)C(C)CC(CCCC)c1ccccc1
InChIInChI=1S/C22H38/c1-5-8-11-15-20(7-3)19(4)18-22(14-9-6-2)21-16-12-10-13-17-21/h10,12-13,16-17,19-20,22H,5-9,11,14-15,18H2,1-4H3
InChIKeyCJKBSGVEXRYRAD-UHFFFAOYSA-N
MW302.55 g/mol
LogP7.59
Rot. Bonds12

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

(8-ethyl-7-methyltridecan-5-yl)benzene (PubChem CID 144851446) has the molecular formula C22H38 and a molecular weight of 302.55 g/mol. Its IUPAC name is (8-ethyl-7-methyltridecan-5-yl)benzene.

Molecular Properties

Compound Name(8-ethyl-7-methyltridecan-5-yl)benzene
PubChem CID144851446
Molecular FormulaC22H38
Molecular Weight302.55 g/mol
Exact Mass302.30
IUPAC Name(8-ethyl-7-methyltridecan-5-yl)benzene
SMILESCCCCCC(CC)C(C)CC(CCCC)c1ccccc1
InChIInChI=1S/C22H38/c1-5-8-11-15-20(7-3)19(4)18-22(14-9-6-2)21-16-12-10-13-17-21/h10,12-13,16-17,19-20,22H,5-9,11,14-15,18H2,1-4H3
InChIKeyCJKBSGVEXRYRAD-UHFFFAOYSA-N
XLogP7.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.55
LogP ≤ 57.59
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

1-ethyl-4-(8-ethyl-7-methyltridecan-5-yl)benzene
CID 144851455
(1-pentyl-3-phenylheptyl)benzene
CID 154153436
[(6R)-7-ethyl-6-methylnonan-4-yl]benzene
CID 153439336
octan-3-ylbenzene
CID 519547
10-phenyltetradecan-5-ylbenzene
CID 22891787
hentriacontan-13-ylbenzene
CID 91306613
icosan-10-ylbenzene
CID 54351357
heptan-3-ylbenzene;methane
CID 159006232
CID 58843291
CID 58843291
2-phenylundecan-1-amine
CID 57256894
1-bromododecan-2-ylbenzene
CID 66043461
1-chlorooctan-2-ylbenzene
CID 66033446

Frequently Asked Questions

What is the IUPAC name of (8-ethyl-7-methyltridecan-5-yl)benzene?
The IUPAC name of (8-ethyl-7-methyltridecan-5-yl)benzene (CID 144851446) is (8-ethyl-7-methyltridecan-5-yl)benzene.
What is the SMILES notation for (8-ethyl-7-methyltridecan-5-yl)benzene?
The canonical SMILES for (8-ethyl-7-methyltridecan-5-yl)benzene is CCCCCC(CC)C(C)CC(CCCC)c1ccccc1.
What is the InChIKey of (8-ethyl-7-methyltridecan-5-yl)benzene?
The InChIKey is CJKBSGVEXRYRAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38/c1-5-8-11-15-20(7-3)19(4)18-22(14-9-6-2)21-16-12-10-13-17-21/h10,12-13,16-17,19-20,22H,5-9,11,14-15,18H2,1-4H3.
What are the key properties of (8-ethyl-7-methyltridecan-5-yl)benzene?
(8-ethyl-7-methyltridecan-5-yl)benzene has a molecular weight of 302.55 g/mol, XLogP of 7.59, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (8-ethyl-7-methyltridecan-5-yl)benzene is sourced from PubChem (CID 144851446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).