1-ethyl-1-methyl-3-(4-methylphenyl)cycloheptane

C17H26 — CID 154663419

IUPAC1-ethyl-1-methyl-3-(4-methylphenyl)cycloheptane
SMILESCCC1(C)CCCCC(c2ccc(C)cc2)C1
InChIInChI=1S/C17H26/c1-4-17(3)12-6-5-7-16(13-17)15-10-8-14(2)9-11-15/h8-11,16H,4-7,12-13H2,1-3H3
InChIKeyWBICWRQQBBDALI-UHFFFAOYSA-N
MW230.40 g/mol
LogP5.46
Rot. Bonds2

About 1-ethyl-1-methyl-3-(4-methylphenyl)cycloheptane

1-ethyl-1-methyl-3-(4-methylphenyl)cycloheptane (PubChem CID 154663419) has the molecular formula C17H26 and a molecular weight of 230.40 g/mol. Its IUPAC name is 1-ethyl-1-methyl-3-(4-methylphenyl)cycloheptane.

Molecular Properties

Compound Name1-ethyl-1-methyl-3-(4-methylphenyl)cycloheptane
PubChem CID154663419
Molecular FormulaC17H26
Molecular Weight230.40 g/mol
Exact Mass230.20
IUPAC Name1-ethyl-1-methyl-3-(4-methylphenyl)cycloheptane
SMILESCCC1(C)CCCCC(c2ccc(C)cc2)C1
InChIInChI=1S/C17H26/c1-4-17(3)12-6-5-7-16(13-17)15-10-8-14(2)9-11-15/h8-11,16H,4-7,12-13H2,1-3H3
InChIKeyWBICWRQQBBDALI-UHFFFAOYSA-N
XLogP5.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500230.40
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-methyl-3-(4-methylphenyl)cycloheptane?
The IUPAC name of 1-ethyl-1-methyl-3-(4-methylphenyl)cycloheptane (CID 154663419) is 1-ethyl-1-methyl-3-(4-methylphenyl)cycloheptane.
What is the SMILES notation for 1-ethyl-1-methyl-3-(4-methylphenyl)cycloheptane?
The canonical SMILES for 1-ethyl-1-methyl-3-(4-methylphenyl)cycloheptane is CCC1(C)CCCCC(c2ccc(C)cc2)C1.
What is the InChIKey of 1-ethyl-1-methyl-3-(4-methylphenyl)cycloheptane?
The InChIKey is WBICWRQQBBDALI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26/c1-4-17(3)12-6-5-7-16(13-17)15-10-8-14(2)9-11-15/h8-11,16H,4-7,12-13H2,1-3H3.
What are the key properties of 1-ethyl-1-methyl-3-(4-methylphenyl)cycloheptane?
1-ethyl-1-methyl-3-(4-methylphenyl)cycloheptane has a molecular weight of 230.40 g/mol, XLogP of 5.46, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-methyl-3-(4-methylphenyl)cycloheptane is sourced from PubChem (CID 154663419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).