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

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1,1-diethylcyclohexane;ethane
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ethane;1-ethyl-1-hexylcyclopropane
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4,4-diethylpiperidine;hydrochloride
CID 75419509
1-ethyl-1-(methoxymethyl)cyclopropane
CID 23568583
ethane;3-(1-ethylcyclopropyl)-N-methylpropan-1-amine
CID 145022542
4,4-diethyl-1-methylcyclohexane-1-carboxylic acid
CID 167456662
1-ethyl-1-prop-2-ynylcyclopropane
CID 177343020
1-ethyl-1-(methylsulfonylmethyl)cyclopropane
CID 123657531
ethane;1-ethyl-1-(fluoromethyl)cyclohexane
CID 142943476
4,4-diethyl-1-(2-methylpropyl)piperidine;ethane
CID 154670691

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).