1-(4-ethyl-2-propylhexyl)-1,2-dimethyl-4-propylcyclobutane

C20H40 — CID 123262126

IUPAC1-(4-ethyl-2-propylhexyl)-1,2-dimethyl-4-propylcyclobutane
SMILESCCCC(CC(CC)CC)CC1(C)C(C)CC1CCC
InChIInChI=1S/C20H40/c1-7-11-18(14-17(9-3)10-4)15-20(6)16(5)13-19(20)12-8-2/h16-19H,7-15H2,1-6H3
InChIKeyNJDVASIVMMPCEV-UHFFFAOYSA-N
MW280.54 g/mol
LogP7.08
Rot. Bonds10

About 1-(4-ethyl-2-propylhexyl)-1,2-dimethyl-4-propylcyclobutane

1-(4-ethyl-2-propylhexyl)-1,2-dimethyl-4-propylcyclobutane (PubChem CID 123262126) has the molecular formula C20H40 and a molecular weight of 280.54 g/mol. Its IUPAC name is 1-(4-ethyl-2-propylhexyl)-1,2-dimethyl-4-propylcyclobutane.

Molecular Properties

Compound Name1-(4-ethyl-2-propylhexyl)-1,2-dimethyl-4-propylcyclobutane
PubChem CID123262126
Molecular FormulaC20H40
Molecular Weight280.54 g/mol
Exact Mass280.31
IUPAC Name1-(4-ethyl-2-propylhexyl)-1,2-dimethyl-4-propylcyclobutane
SMILESCCCC(CC(CC)CC)CC1(C)C(C)CC1CCC
InChIInChI=1S/C20H40/c1-7-11-18(14-17(9-3)10-4)15-20(6)16(5)13-19(20)12-8-2/h16-19H,7-15H2,1-6H3
InChIKeyNJDVASIVMMPCEV-UHFFFAOYSA-N
XLogP7.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.54
LogP ≤ 57.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-butan-2-yl-1-methyl-1-(2-methylbutyl)-4-propylcyclobutane
CID 123269538
4,9-diethyl-6-(2-ethylpentyl)dodecane
CID 59445443
1-ethyl-1-(2-propylpentyl)cyclopropane
CID 155726097
4-ethylheptane;methane
CID 143165373
1-(3-ethylpentyl)-1,2-dimethylcyclopropane
CID 123883957
5,9-diethyl-7-(2-ethylpentyl)tridecane
CID 170533070
1-(12-ethyl-6,7-dimethyl-4-propylhexadecyl)-1,2-dimethylcyclopropane
CID 123839197
1-(2-ethylpentyl)-3-methylazetidine
CID 170275965
4-ethyl-N,2-dipropylhexan-1-amine
CID 82930255
3-ethylhexylcyclopentane
CID 123372890
1,1,2-trimethyl-4-(3-methylbutyl)cyclobutane
CID 123981363
1-(5-ethyl-7-methyldecyl)-2-methylcyclopropane
CID 123168355

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethyl-2-propylhexyl)-1,2-dimethyl-4-propylcyclobutane?
The IUPAC name of 1-(4-ethyl-2-propylhexyl)-1,2-dimethyl-4-propylcyclobutane (CID 123262126) is 1-(4-ethyl-2-propylhexyl)-1,2-dimethyl-4-propylcyclobutane.
What is the SMILES notation for 1-(4-ethyl-2-propylhexyl)-1,2-dimethyl-4-propylcyclobutane?
The canonical SMILES for 1-(4-ethyl-2-propylhexyl)-1,2-dimethyl-4-propylcyclobutane is CCCC(CC(CC)CC)CC1(C)C(C)CC1CCC.
What is the InChIKey of 1-(4-ethyl-2-propylhexyl)-1,2-dimethyl-4-propylcyclobutane?
The InChIKey is NJDVASIVMMPCEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40/c1-7-11-18(14-17(9-3)10-4)15-20(6)16(5)13-19(20)12-8-2/h16-19H,7-15H2,1-6H3.
What are the key properties of 1-(4-ethyl-2-propylhexyl)-1,2-dimethyl-4-propylcyclobutane?
1-(4-ethyl-2-propylhexyl)-1,2-dimethyl-4-propylcyclobutane has a molecular weight of 280.54 g/mol, XLogP of 7.08, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethyl-2-propylhexyl)-1,2-dimethyl-4-propylcyclobutane is sourced from PubChem (CID 123262126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).