1,1-diethylcyclopropane;ethane;propane

C12H28 — CID 162386463

IUPAC1,1-diethylcyclopropane;ethane;propane
SMILESCC.CCC.CCC1(CC)CC1
InChIInChI=1S/C7H14.C3H8.C2H6/c1-3-7(4-2)5-6-7;1-3-2;1-2/h3-6H2,1-2H3;3H2,1-2H3;1-2H3
InChIKeyCKCBEWVZRMIYCN-UHFFFAOYSA-N
MW172.36 g/mol
LogP5.03
Rot. Bonds2

About 1,1-diethylcyclopropane;ethane;propane

1,1-diethylcyclopropane;ethane;propane (PubChem CID 162386463) has the molecular formula C12H28 and a molecular weight of 172.36 g/mol. Its IUPAC name is 1,1-diethylcyclopropane;ethane;propane.

Molecular Properties

Compound Name1,1-diethylcyclopropane;ethane;propane
PubChem CID162386463
Molecular FormulaC12H28
Molecular Weight172.36 g/mol
Exact Mass172.22
IUPAC Name1,1-diethylcyclopropane;ethane;propane
SMILESCC.CCC.CCC1(CC)CC1
InChIInChI=1S/C7H14.C3H8.C2H6/c1-3-7(4-2)5-6-7;1-3-2;1-2/h3-6H2,1-2H3;3H2,1-2H3;1-2H3
InChIKeyCKCBEWVZRMIYCN-UHFFFAOYSA-N
XLogP5.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500172.36
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3-Ethyl-3-methylpentane
CID 14018
3,3-Diethylpentane
CID 14020
1,1-Diethylcyclopropane
CID 66086
Cyclopropane, 1-ethyl-1-methyl-
CID 93290
1,1-Dipropyl-cyclopropane
CID 524624
Hexamethylcyclopropane
CID 12732223
1-tert-Butyl-1-methylcyclopropane
CID 23567201
Cyclopropane, pentamethyl-
CID 544180
1-Ethyl-1,2,2-trimethylcyclopropane
CID 13115325
3-Methylpentane 2,2-dimethylbutane
CID 18956698
1-Ethyl-1-butyl-cyclopropane
CID 524633
1,1-Ditert-butylcyclopropane
CID 12714132

Frequently Asked Questions

What is the IUPAC name of 1,1-diethylcyclopropane;ethane;propane?
The IUPAC name of 1,1-diethylcyclopropane;ethane;propane (CID 162386463) is 1,1-diethylcyclopropane;ethane;propane.
What is the SMILES notation for 1,1-diethylcyclopropane;ethane;propane?
The canonical SMILES for 1,1-diethylcyclopropane;ethane;propane is CC.CCC.CCC1(CC)CC1.
What is the InChIKey of 1,1-diethylcyclopropane;ethane;propane?
The InChIKey is CKCBEWVZRMIYCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14.C3H8.C2H6/c1-3-7(4-2)5-6-7;1-3-2;1-2/h3-6H2,1-2H3;3H2,1-2H3;1-2H3.
What are the key properties of 1,1-diethylcyclopropane;ethane;propane?
1,1-diethylcyclopropane;ethane;propane has a molecular weight of 172.36 g/mol, XLogP of 5.03, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethylcyclopropane;ethane;propane is sourced from PubChem (CID 162386463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).