1-(3,4-dimethylpentan-2-yl)-2-ethylcyclopropane

C12H24 — CID 90998982

IUPAC1-(3,4-dimethylpentan-2-yl)-2-ethylcyclopropane
SMILESCCC1CC1C(C)C(C)C(C)C
InChIInChI=1S/C12H24/c1-6-11-7-12(11)10(5)9(4)8(2)3/h8-12H,6-7H2,1-5H3
InChIKeyUBJQRZIVYBJMFA-UHFFFAOYSA-N
MW168.32 g/mol
LogP3.96
Rot. Bonds4

About 1-(3,4-dimethylpentan-2-yl)-2-ethylcyclopropane

1-(3,4-dimethylpentan-2-yl)-2-ethylcyclopropane (PubChem CID 90998982) has the molecular formula C12H24 and a molecular weight of 168.32 g/mol. Its IUPAC name is 1-(3,4-dimethylpentan-2-yl)-2-ethylcyclopropane.

Molecular Properties

Compound Name1-(3,4-dimethylpentan-2-yl)-2-ethylcyclopropane
PubChem CID90998982
Molecular FormulaC12H24
Molecular Weight168.32 g/mol
Exact Mass168.19
IUPAC Name1-(3,4-dimethylpentan-2-yl)-2-ethylcyclopropane
SMILESCCC1CC1C(C)C(C)C(C)C
InChIInChI=1S/C12H24/c1-6-11-7-12(11)10(5)9(4)8(2)3/h8-12H,6-7H2,1-5H3
InChIKeyUBJQRZIVYBJMFA-UHFFFAOYSA-N
XLogP3.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.32
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-ethyl-2-(3,4,5-trimethylheptan-2-yl)cyclopropane
CID 123142246
1-ethyl-2-[3-(2-propan-2-ylcyclopropyl)butan-2-yl]cyclopropane
CID 123962294
carbon dioxide;1-ethyl-2-propan-2-ylcyclopropane
CID 158990668
1-ethyl-2-nonan-2-ylcyclopropane
CID 123964320
3-ethyl-4-propan-2-ylbicyclo[4.1.0]heptane
CID 163871829
1-ethyl-3-methyl-2-(3-methylbutan-2-yl)cyclobutane
CID 91121351
1,2-diethyl-4-methyl-5-propan-2-ylcyclohexane;ethane
CID 142876952
1-(3,4-dimethylpentyl)-2-ethylcyclopropane
CID 123908789
1-ethyl-2-methylcyclopropane;2-methylpropane
CID 155747981
1-ethyl-2-(7-methylocta-5,6-dien-2-yl)cyclopropane
CID 123441755
1,2-diethyl-3,4-di(propan-2-yl)cyclopentane
CID 143342433
(1S,2S,4S)-2-ethyl-4-methyl-1-propan-2-ylcyclohexane
CID 166124501

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylpentan-2-yl)-2-ethylcyclopropane?
The IUPAC name of 1-(3,4-dimethylpentan-2-yl)-2-ethylcyclopropane (CID 90998982) is 1-(3,4-dimethylpentan-2-yl)-2-ethylcyclopropane.
What is the SMILES notation for 1-(3,4-dimethylpentan-2-yl)-2-ethylcyclopropane?
The canonical SMILES for 1-(3,4-dimethylpentan-2-yl)-2-ethylcyclopropane is CCC1CC1C(C)C(C)C(C)C.
What is the InChIKey of 1-(3,4-dimethylpentan-2-yl)-2-ethylcyclopropane?
The InChIKey is UBJQRZIVYBJMFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24/c1-6-11-7-12(11)10(5)9(4)8(2)3/h8-12H,6-7H2,1-5H3.
What are the key properties of 1-(3,4-dimethylpentan-2-yl)-2-ethylcyclopropane?
1-(3,4-dimethylpentan-2-yl)-2-ethylcyclopropane has a molecular weight of 168.32 g/mol, XLogP of 3.96, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylpentan-2-yl)-2-ethylcyclopropane is sourced from PubChem (CID 90998982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).