1-(2,3-dimethylbut-3-enyl)-1-ethylcyclopropane

C11H20 — CID 123856253

IUPAC1-(2,3-dimethylbut-3-enyl)-1-ethylcyclopropane
SMILESC=C(C)C(C)CC1(CC)CC1
InChIInChI=1S/C11H20/c1-5-11(6-7-11)8-10(4)9(2)3/h10H,2,5-8H2,1,3-4H3
InChIKeyBKZZQSJDBBWGTN-UHFFFAOYSA-N
MW152.28 g/mol
LogP3.78
Rot. Bonds4

About 1-(2,3-dimethylbut-3-enyl)-1-ethylcyclopropane

1-(2,3-dimethylbut-3-enyl)-1-ethylcyclopropane (PubChem CID 123856253) has the molecular formula C11H20 and a molecular weight of 152.28 g/mol. Its IUPAC name is 1-(2,3-dimethylbut-3-enyl)-1-ethylcyclopropane.

Molecular Properties

Compound Name1-(2,3-dimethylbut-3-enyl)-1-ethylcyclopropane
PubChem CID123856253
Molecular FormulaC11H20
Molecular Weight152.28 g/mol
Exact Mass152.16
IUPAC Name1-(2,3-dimethylbut-3-enyl)-1-ethylcyclopropane
SMILESC=C(C)C(C)CC1(CC)CC1
InChIInChI=1S/C11H20/c1-5-11(6-7-11)8-10(4)9(2)3/h10H,2,5-8H2,1,3-4H3
InChIKeyBKZZQSJDBBWGTN-UHFFFAOYSA-N
XLogP3.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.28
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(1-ethylcyclobutyl)propan-2-ol
CID 126985384
2,3-dimethylpent-1-ene;ethane
CID 143286891
(3R)-2,3-dimethylpent-1-ene;(3R)-3-methylpent-1-yne
CID 159199153
3,4-dimethylpent-4-en-1-ol
CID 14417455
1-ethyl-1-(2-propylpentyl)cyclopropane
CID 155726097
1,1-diethylcyclopropane;ethane;propane
CID 162386463
4-ethyl-4-(2-methylpropyl)oxane
CID 58432614
2,3,7-trimethyloct-1-ene
CID 123245102
(2S)-2-(ethylamino)-1-(1-ethylcyclobutyl)pentan-3-one
CID 71037152
1-ethyl-1-(2-methyl-3-propan-2-ylpenta-2,4-dienyl)cyclopentane
CID 123928843
2,3-dimethyldodec-1-ene;ethane;ethene
CID 144958915
2,5-dimethylhept-1-en-3-ylhydrazine
CID 105320121

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylbut-3-enyl)-1-ethylcyclopropane?
The IUPAC name of 1-(2,3-dimethylbut-3-enyl)-1-ethylcyclopropane (CID 123856253) is 1-(2,3-dimethylbut-3-enyl)-1-ethylcyclopropane.
What is the SMILES notation for 1-(2,3-dimethylbut-3-enyl)-1-ethylcyclopropane?
The canonical SMILES for 1-(2,3-dimethylbut-3-enyl)-1-ethylcyclopropane is C=C(C)C(C)CC1(CC)CC1.
What is the InChIKey of 1-(2,3-dimethylbut-3-enyl)-1-ethylcyclopropane?
The InChIKey is BKZZQSJDBBWGTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20/c1-5-11(6-7-11)8-10(4)9(2)3/h10H,2,5-8H2,1,3-4H3.
What are the key properties of 1-(2,3-dimethylbut-3-enyl)-1-ethylcyclopropane?
1-(2,3-dimethylbut-3-enyl)-1-ethylcyclopropane has a molecular weight of 152.28 g/mol, XLogP of 3.78, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylbut-3-enyl)-1-ethylcyclopropane is sourced from PubChem (CID 123856253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).