1-(3-ethylpentyl)-2-methyl-3-(1,2,2-trimethylcyclopropyl)cyclobutane

C18H34 — CID 123706971

IUPAC1-(3-ethylpentyl)-2-methyl-3-(1,2,2-trimethylcyclopropyl)cyclobutane
SMILESCCC(CC)CCC1CC(C2(C)CC2(C)C)C1C
InChIInChI=1S/C18H34/c1-7-14(8-2)9-10-15-11-16(13(15)3)18(6)12-17(18,4)5/h13-16H,7-12H2,1-6H3
InChIKeySDZLAEIDUIYGKX-UHFFFAOYSA-N
MW250.47 g/mol
LogP5.91
Rot. Bonds6

About 1-(3-ethylpentyl)-2-methyl-3-(1,2,2-trimethylcyclopropyl)cyclobutane

1-(3-ethylpentyl)-2-methyl-3-(1,2,2-trimethylcyclopropyl)cyclobutane (PubChem CID 123706971) has the molecular formula C18H34 and a molecular weight of 250.47 g/mol. Its IUPAC name is 1-(3-ethylpentyl)-2-methyl-3-(1,2,2-trimethylcyclopropyl)cyclobutane.

Molecular Properties

Compound Name1-(3-ethylpentyl)-2-methyl-3-(1,2,2-trimethylcyclopropyl)cyclobutane
PubChem CID123706971
Molecular FormulaC18H34
Molecular Weight250.47 g/mol
Exact Mass250.27
IUPAC Name1-(3-ethylpentyl)-2-methyl-3-(1,2,2-trimethylcyclopropyl)cyclobutane
SMILESCCC(CC)CCC1CC(C2(C)CC2(C)C)C1C
InChIInChI=1S/C18H34/c1-7-14(8-2)9-10-15-11-16(13(15)3)18(6)12-17(18,4)5/h13-16H,7-12H2,1-6H3
InChIKeySDZLAEIDUIYGKX-UHFFFAOYSA-N
XLogP5.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.47
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3-ethylpentylcyclopropane
CID 91030831
1,2-dimethyl-3-(1,2,2-trimethylcyclopropyl)cyclobutane
CID 123505279
4-(2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl)butan-2-ol
CID 45097192
1-(3-ethylpentyl)-1,2-dimethylcyclopropane
CID 123883957
2-(3-ethylpentyl)aziridine
CID 54037862
3,6-diethyloctane
CID 526424
1-(3-ethyl-4-methylheptyl)-2-methylcyclopropane
CID 123890529
1-ethyl-3-(2-ethylbutyl)-2-methylcyclobutane
CID 123245252
ethene;1-methyl-2-(3-methylpentyl)cyclopropane
CID 143221228
3-ethylhexylcyclopentane
CID 123372890
N-(2-ethylbutyl)-3,3,5,5-tetramethylcyclohexan-1-amine
CID 103965730
1-(2-ethylhexyl)-1,2,2-trimethylcyclopropane
CID 123492953

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylpentyl)-2-methyl-3-(1,2,2-trimethylcyclopropyl)cyclobutane?
The IUPAC name of 1-(3-ethylpentyl)-2-methyl-3-(1,2,2-trimethylcyclopropyl)cyclobutane (CID 123706971) is 1-(3-ethylpentyl)-2-methyl-3-(1,2,2-trimethylcyclopropyl)cyclobutane.
What is the SMILES notation for 1-(3-ethylpentyl)-2-methyl-3-(1,2,2-trimethylcyclopropyl)cyclobutane?
The canonical SMILES for 1-(3-ethylpentyl)-2-methyl-3-(1,2,2-trimethylcyclopropyl)cyclobutane is CCC(CC)CCC1CC(C2(C)CC2(C)C)C1C.
What is the InChIKey of 1-(3-ethylpentyl)-2-methyl-3-(1,2,2-trimethylcyclopropyl)cyclobutane?
The InChIKey is SDZLAEIDUIYGKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34/c1-7-14(8-2)9-10-15-11-16(13(15)3)18(6)12-17(18,4)5/h13-16H,7-12H2,1-6H3.
What are the key properties of 1-(3-ethylpentyl)-2-methyl-3-(1,2,2-trimethylcyclopropyl)cyclobutane?
1-(3-ethylpentyl)-2-methyl-3-(1,2,2-trimethylcyclopropyl)cyclobutane has a molecular weight of 250.47 g/mol, XLogP of 5.91, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylpentyl)-2-methyl-3-(1,2,2-trimethylcyclopropyl)cyclobutane is sourced from PubChem (CID 123706971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).