1-ethyl-4-(2-methylheptan-2-yl)benzene

C16H26 — CID 54310984

IUPAC1-ethyl-4-(2-methylheptan-2-yl)benzene
SMILESCCCCCC(C)(C)c1ccc(CC)cc1
InChIInChI=1S/C16H26/c1-5-7-8-13-16(3,4)15-11-9-14(6-2)10-12-15/h9-12H,5-8,13H2,1-4H3
InChIKeySKWAQNIZGYYKMD-UHFFFAOYSA-N
MW218.38 g/mol
LogP5.11
Rot. Bonds6

About 1-ethyl-4-(2-methylheptan-2-yl)benzene

1-ethyl-4-(2-methylheptan-2-yl)benzene (PubChem CID 54310984) has the molecular formula C16H26 and a molecular weight of 218.38 g/mol. Its IUPAC name is 1-ethyl-4-(2-methylheptan-2-yl)benzene.

Molecular Properties

Compound Name1-ethyl-4-(2-methylheptan-2-yl)benzene
PubChem CID54310984
Molecular FormulaC16H26
Molecular Weight218.38 g/mol
Exact Mass218.20
IUPAC Name1-ethyl-4-(2-methylheptan-2-yl)benzene
SMILESCCCCCC(C)(C)c1ccc(CC)cc1
InChIInChI=1S/C16H26/c1-5-7-8-13-16(3,4)15-11-9-14(6-2)10-12-15/h9-12H,5-8,13H2,1-4H3
InChIKeySKWAQNIZGYYKMD-UHFFFAOYSA-N
XLogP5.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500218.38
LogP ≤ 55.11
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

3-(4-ethylphenyl)-3-methylbutan-1-ol
CID 79837245
1-ethyl-4-(trifluoromethyl)benzene;hexane
CID 143348513
1,4-diethylbenzene;heptane
CID 175370860
acetaldehyde;4-(2-methylheptan-2-yl)phenol
CID 87674929
1-tert-butyl-4-ethylbenzene
CID 157359507
4-(2-methylnonan-2-yl)benzamide
CID 154959584
1-isocyanato-4-(2-methylpentadecan-2-yl)benzene
CID 20519751
1,2-difluoro-4-(2-methyloctan-2-yl)benzene
CID 146181426
2-[4-(2-methyloctan-2-yl)phenoxy]ethanol
CID 102437281
2,5-bis(2-methylheptan-2-yl)phenol
CID 87703895
2,6-ditert-butyl-4-(2-methylheptan-2-yl)phenol
CID 20549645
2,6-diethyl-4-(2-methylheptan-2-yl)phenol
CID 91497422

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-(2-methylheptan-2-yl)benzene?
The IUPAC name of 1-ethyl-4-(2-methylheptan-2-yl)benzene (CID 54310984) is 1-ethyl-4-(2-methylheptan-2-yl)benzene.
What is the SMILES notation for 1-ethyl-4-(2-methylheptan-2-yl)benzene?
The canonical SMILES for 1-ethyl-4-(2-methylheptan-2-yl)benzene is CCCCCC(C)(C)c1ccc(CC)cc1.
What is the InChIKey of 1-ethyl-4-(2-methylheptan-2-yl)benzene?
The InChIKey is SKWAQNIZGYYKMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26/c1-5-7-8-13-16(3,4)15-11-9-14(6-2)10-12-15/h9-12H,5-8,13H2,1-4H3.
What are the key properties of 1-ethyl-4-(2-methylheptan-2-yl)benzene?
1-ethyl-4-(2-methylheptan-2-yl)benzene has a molecular weight of 218.38 g/mol, XLogP of 5.11, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(2-methylheptan-2-yl)benzene is sourced from PubChem (CID 54310984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).