1-(3-ethyl-2-methyltetradecyl)-2-methyl-3-propylcyclobutane

C25H50 — CID 123714162

IUPAC1-(3-ethyl-2-methyltetradecyl)-2-methyl-3-propylcyclobutane
SMILESCCCCCCCCCCCC(CC)C(C)CC1CC(CCC)C1C
InChIInChI=1S/C25H50/c1-6-9-10-11-12-13-14-15-16-18-23(8-3)21(4)19-25-20-24(17-7-2)22(25)5/h21-25H,6-20H2,1-5H3
InChIKeyGBQJDFIXOBRJOI-UHFFFAOYSA-N
MW350.68 g/mol
LogP9.03
Rot. Bonds16

About 1-(3-ethyl-2-methyltetradecyl)-2-methyl-3-propylcyclobutane

1-(3-ethyl-2-methyltetradecyl)-2-methyl-3-propylcyclobutane (PubChem CID 123714162) has the molecular formula C25H50 and a molecular weight of 350.68 g/mol. Its IUPAC name is 1-(3-ethyl-2-methyltetradecyl)-2-methyl-3-propylcyclobutane.

Molecular Properties

Compound Name1-(3-ethyl-2-methyltetradecyl)-2-methyl-3-propylcyclobutane
PubChem CID123714162
Molecular FormulaC25H50
Molecular Weight350.68 g/mol
Exact Mass350.39
IUPAC Name1-(3-ethyl-2-methyltetradecyl)-2-methyl-3-propylcyclobutane
SMILESCCCCCCCCCCCC(CC)C(C)CC1CC(CCC)C1C
InChIInChI=1S/C25H50/c1-6-9-10-11-12-13-14-15-16-18-23(8-3)21(4)19-25-20-24(17-7-2)22(25)5/h21-25H,6-20H2,1-5H3
InChIKeyGBQJDFIXOBRJOI-UHFFFAOYSA-N
XLogP9.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.68
LogP ≤ 59.03
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

4-ethyl-3-methylundecane
CID 57279647
8-ethyl-7-methylhexadecane
CID 56974440
9,10-diethyloctadecane
CID 530164
19-heptadecan-3-ylnonatriacontane
CID 57212477
6-ethyl-7-pentyltetradecane
CID 123140274
5,6-diethyldodecane
CID 90761715
5-butyl-6-ethyldodecane
CID 529932
1-(2,3-dimethylpentyl)-2-propylcyclopropane
CID 123708600
1-(3-ethyl-4,5-dimethylheptyl)-2-propylcyclopropane
CID 123532559
1-(2,5-diethyldecyl)-2-propylcyclopropane
CID 90691022
7-ethyl-6-propyltridecane
CID 530352
1-propyl-2-undecylcyclopropane
CID 123636027

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-2-methyltetradecyl)-2-methyl-3-propylcyclobutane?
The IUPAC name of 1-(3-ethyl-2-methyltetradecyl)-2-methyl-3-propylcyclobutane (CID 123714162) is 1-(3-ethyl-2-methyltetradecyl)-2-methyl-3-propylcyclobutane.
What is the SMILES notation for 1-(3-ethyl-2-methyltetradecyl)-2-methyl-3-propylcyclobutane?
The canonical SMILES for 1-(3-ethyl-2-methyltetradecyl)-2-methyl-3-propylcyclobutane is CCCCCCCCCCCC(CC)C(C)CC1CC(CCC)C1C.
What is the InChIKey of 1-(3-ethyl-2-methyltetradecyl)-2-methyl-3-propylcyclobutane?
The InChIKey is GBQJDFIXOBRJOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H50/c1-6-9-10-11-12-13-14-15-16-18-23(8-3)21(4)19-25-20-24(17-7-2)22(25)5/h21-25H,6-20H2,1-5H3.
What are the key properties of 1-(3-ethyl-2-methyltetradecyl)-2-methyl-3-propylcyclobutane?
1-(3-ethyl-2-methyltetradecyl)-2-methyl-3-propylcyclobutane has a molecular weight of 350.68 g/mol, XLogP of 9.03, 16 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-2-methyltetradecyl)-2-methyl-3-propylcyclobutane is sourced from PubChem (CID 123714162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).