1-ethyl-2-methyl-3-(3-methylcyclobutyl)cyclobutane

C12H22 — CID 91436616

IUPAC1-ethyl-2-methyl-3-(3-methylcyclobutyl)cyclobutane
SMILESCCC1CC(C2CC(C)C2)C1C
InChIInChI=1S/C12H22/c1-4-10-7-12(9(10)3)11-5-8(2)6-11/h8-12H,4-7H2,1-3H3
InChIKeyHQOGHQSTYWBMRN-UHFFFAOYSA-N
MW166.31 g/mol
LogP3.71
Rot. Bonds2

About 1-ethyl-2-methyl-3-(3-methylcyclobutyl)cyclobutane

1-ethyl-2-methyl-3-(3-methylcyclobutyl)cyclobutane (PubChem CID 91436616) has the molecular formula C12H22 and a molecular weight of 166.31 g/mol. Its IUPAC name is 1-ethyl-2-methyl-3-(3-methylcyclobutyl)cyclobutane.

Molecular Properties

Compound Name1-ethyl-2-methyl-3-(3-methylcyclobutyl)cyclobutane
PubChem CID91436616
Molecular FormulaC12H22
Molecular Weight166.31 g/mol
Exact Mass166.17
IUPAC Name1-ethyl-2-methyl-3-(3-methylcyclobutyl)cyclobutane
SMILESCCC1CC(C2CC(C)C2)C1C
InChIInChI=1S/C12H22/c1-4-10-7-12(9(10)3)11-5-8(2)6-11/h8-12H,4-7H2,1-3H3
InChIKeyHQOGHQSTYWBMRN-UHFFFAOYSA-N
XLogP3.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.31
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 147399141
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CID 144517019
1,5-diethyl-2,4-dimethyl-1,2,3,3a,4,5,6,6a-octahydropentalene
CID 162292687
1-chloro-3-ethyl-2,5-dimethylcyclohexane
CID 170272561
ethane;1-ethyl-2,3-dimethylcyclobutane
CID 142059191
1,3-diethyl-2,5-dimethylcycloheptane
CID 123338571
7,12,14-trimethyltetracyclo[8.5.0.02,8.04,6]pentadecane
CID 123453838
3-ethyl-2,7-dimethyl-6-propan-2-ylbicyclo[3.2.0]heptane
CID 123742163
(4S)-2-ethyl-4-methylcyclopentan-1-amine
CID 163423682
1-ethyl-2-fluoro-4-methylcyclopentane
CID 91088664
5-ethyl-2,3,4-trimethylcyclohexan-1-amine
CID 144529983
1-chloro-2-ethyl-4-methylcyclopentane
CID 174663037

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-methyl-3-(3-methylcyclobutyl)cyclobutane?
The IUPAC name of 1-ethyl-2-methyl-3-(3-methylcyclobutyl)cyclobutane (CID 91436616) is 1-ethyl-2-methyl-3-(3-methylcyclobutyl)cyclobutane.
What is the SMILES notation for 1-ethyl-2-methyl-3-(3-methylcyclobutyl)cyclobutane?
The canonical SMILES for 1-ethyl-2-methyl-3-(3-methylcyclobutyl)cyclobutane is CCC1CC(C2CC(C)C2)C1C.
What is the InChIKey of 1-ethyl-2-methyl-3-(3-methylcyclobutyl)cyclobutane?
The InChIKey is HQOGHQSTYWBMRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22/c1-4-10-7-12(9(10)3)11-5-8(2)6-11/h8-12H,4-7H2,1-3H3.
What are the key properties of 1-ethyl-2-methyl-3-(3-methylcyclobutyl)cyclobutane?
1-ethyl-2-methyl-3-(3-methylcyclobutyl)cyclobutane has a molecular weight of 166.31 g/mol, XLogP of 3.71, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-methyl-3-(3-methylcyclobutyl)cyclobutane is sourced from PubChem (CID 91436616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).