2-ethyl-1-methyl-3-[2-methyl-1-(2-methyl-4-propan-2-ylcyclobutyl)propan-2-yl]cyclobutane

C19H36 — CID 123987093

IUPAC2-ethyl-1-methyl-3-[2-methyl-1-(2-methyl-4-propan-2-ylcyclobutyl)propan-2-yl]cyclobutane
SMILESCCC1C(C)CC1C(C)(C)CC1C(C)CC1C(C)C
InChIInChI=1S/C19H36/c1-8-15-14(5)10-18(15)19(6,7)11-17-13(4)9-16(17)12(2)3/h12-18H,8-11H2,1-7H3
InChIKeyWKRKNYNVBHNVAI-UHFFFAOYSA-N
MW264.50 g/mol
LogP6.01
Rot. Bonds5

About 2-ethyl-1-methyl-3-[2-methyl-1-(2-methyl-4-propan-2-ylcyclobutyl)propan-2-yl]cyclobutane

2-ethyl-1-methyl-3-[2-methyl-1-(2-methyl-4-propan-2-ylcyclobutyl)propan-2-yl]cyclobutane (PubChem CID 123987093) has the molecular formula C19H36 and a molecular weight of 264.50 g/mol. Its IUPAC name is 2-ethyl-1-methyl-3-[2-methyl-1-(2-methyl-4-propan-2-ylcyclobutyl)propan-2-yl]cyclobutane.

Molecular Properties

Compound Name2-ethyl-1-methyl-3-[2-methyl-1-(2-methyl-4-propan-2-ylcyclobutyl)propan-2-yl]cyclobutane
PubChem CID123987093
Molecular FormulaC19H36
Molecular Weight264.50 g/mol
Exact Mass264.28
IUPAC Name2-ethyl-1-methyl-3-[2-methyl-1-(2-methyl-4-propan-2-ylcyclobutyl)propan-2-yl]cyclobutane
SMILESCCC1C(C)CC1C(C)(C)CC1C(C)CC1C(C)C
InChIInChI=1S/C19H36/c1-8-15-14(5)10-18(15)19(6,7)11-17-13(4)9-16(17)12(2)3/h12-18H,8-11H2,1-7H3
InChIKeyWKRKNYNVBHNVAI-UHFFFAOYSA-N
XLogP6.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.50
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 19835663
Tetramethyldodecane
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Tetramethyl heptadecane
CID 86012635
5-Butyl-5-(1-methylethyl)nonane
CID 59930980
1,1-Di(cyclobutyl)cyclobutane
CID 15444461
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CID 53798776
1-Tert-butyl-3-(3-tert-butyl-1-bicyclo[1.1.1]pentanyl)bicyclo[1.1.1]pentane
CID 10800468
1,1'-Bi(bicyclo[1.1.1]pentane)
CID 14173148
Hexamethyldodecane
CID 19371269
2,2,3-Trimethylhexadecane
CID 21872824

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-methyl-3-[2-methyl-1-(2-methyl-4-propan-2-ylcyclobutyl)propan-2-yl]cyclobutane?
The IUPAC name of 2-ethyl-1-methyl-3-[2-methyl-1-(2-methyl-4-propan-2-ylcyclobutyl)propan-2-yl]cyclobutane (CID 123987093) is 2-ethyl-1-methyl-3-[2-methyl-1-(2-methyl-4-propan-2-ylcyclobutyl)propan-2-yl]cyclobutane.
What is the SMILES notation for 2-ethyl-1-methyl-3-[2-methyl-1-(2-methyl-4-propan-2-ylcyclobutyl)propan-2-yl]cyclobutane?
The canonical SMILES for 2-ethyl-1-methyl-3-[2-methyl-1-(2-methyl-4-propan-2-ylcyclobutyl)propan-2-yl]cyclobutane is CCC1C(C)CC1C(C)(C)CC1C(C)CC1C(C)C.
What is the InChIKey of 2-ethyl-1-methyl-3-[2-methyl-1-(2-methyl-4-propan-2-ylcyclobutyl)propan-2-yl]cyclobutane?
The InChIKey is WKRKNYNVBHNVAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36/c1-8-15-14(5)10-18(15)19(6,7)11-17-13(4)9-16(17)12(2)3/h12-18H,8-11H2,1-7H3.
What are the key properties of 2-ethyl-1-methyl-3-[2-methyl-1-(2-methyl-4-propan-2-ylcyclobutyl)propan-2-yl]cyclobutane?
2-ethyl-1-methyl-3-[2-methyl-1-(2-methyl-4-propan-2-ylcyclobutyl)propan-2-yl]cyclobutane has a molecular weight of 264.50 g/mol, XLogP of 6.01, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-methyl-3-[2-methyl-1-(2-methyl-4-propan-2-ylcyclobutyl)propan-2-yl]cyclobutane is sourced from PubChem (CID 123987093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).