1,1-diethyl-2-propan-2-yl-3-propylcyclopropane

C13H26 — CID 91439664

IUPAC1,1-diethyl-2-propan-2-yl-3-propylcyclopropane
SMILESCCCC1C(C(C)C)C1(CC)CC
InChIInChI=1S/C13H26/c1-6-9-11-12(10(4)5)13(11,7-2)8-3/h10-12H,6-9H2,1-5H3
InChIKeyUSVJFFQLERHVQL-UHFFFAOYSA-N
MW182.35 g/mol
LogP4.49
Rot. Bonds5

About 1,1-diethyl-2-propan-2-yl-3-propylcyclopropane

1,1-diethyl-2-propan-2-yl-3-propylcyclopropane (PubChem CID 91439664) has the molecular formula C13H26 and a molecular weight of 182.35 g/mol. Its IUPAC name is 1,1-diethyl-2-propan-2-yl-3-propylcyclopropane.

Molecular Properties

Compound Name1,1-diethyl-2-propan-2-yl-3-propylcyclopropane
PubChem CID91439664
Molecular FormulaC13H26
Molecular Weight182.35 g/mol
Exact Mass182.20
IUPAC Name1,1-diethyl-2-propan-2-yl-3-propylcyclopropane
SMILESCCCC1C(C(C)C)C1(CC)CC
InChIInChI=1S/C13H26/c1-6-9-11-12(10(4)5)13(11,7-2)8-3/h10-12H,6-9H2,1-5H3
InChIKeyUSVJFFQLERHVQL-UHFFFAOYSA-N
XLogP4.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.35
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,1-diethyl-2-methyl-3-propylcyclopropane
CID 140701623
1,1-dichloro-2-methyl-3-propylcyclopropane
CID 13285011
4-ethyl-1,3,6-trimethyl-2-propan-2-yl-4-propylbicyclo[3.1.0]hexane
CID 123756001
2-ethyl-1-methyl-1-propan-2-yl-3-propylcyclopropane
CID 123845526
cis-(2S,3R)-1,1-dichloro-2,3-dipropylcyclopropane
CID 134889174
1-methyl-2-(2-methylpropyl)-4-propylbicyclo[1.1.0]butane
CID 123738417
1,2-diethyl-1-methyl-3-propylcyclopropane
CID 90731440
1,2-dimethyl-1-(3-methylbutan-2-yl)-3-propylcyclopropane
CID 123900503
1,2-dimethyl-3-propan-2-yl-1-propylcyclopropane
CID 90948897
1-ethyl-3-methyl-2-propan-2-ylbicyclo[2.1.0]pentane
CID 123608958
1,2-dimethyl-1-pentyl-3-propan-2-ylcyclopropane
CID 90804985
2-ethyl-2-(2-methylpentyl)bicyclo[1.1.0]butane
CID 123626685

Frequently Asked Questions

What is the IUPAC name of 1,1-diethyl-2-propan-2-yl-3-propylcyclopropane?
The IUPAC name of 1,1-diethyl-2-propan-2-yl-3-propylcyclopropane (CID 91439664) is 1,1-diethyl-2-propan-2-yl-3-propylcyclopropane.
What is the SMILES notation for 1,1-diethyl-2-propan-2-yl-3-propylcyclopropane?
The canonical SMILES for 1,1-diethyl-2-propan-2-yl-3-propylcyclopropane is CCCC1C(C(C)C)C1(CC)CC.
What is the InChIKey of 1,1-diethyl-2-propan-2-yl-3-propylcyclopropane?
The InChIKey is USVJFFQLERHVQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26/c1-6-9-11-12(10(4)5)13(11,7-2)8-3/h10-12H,6-9H2,1-5H3.
What are the key properties of 1,1-diethyl-2-propan-2-yl-3-propylcyclopropane?
1,1-diethyl-2-propan-2-yl-3-propylcyclopropane has a molecular weight of 182.35 g/mol, XLogP of 4.49, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethyl-2-propan-2-yl-3-propylcyclopropane is sourced from PubChem (CID 91439664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).