3,3-diethylpentane;ethane;ethanol;ethylcyclopropane

C18H42O — CID 168967387

IUPAC3,3-diethylpentane;ethane;ethanol;ethylcyclopropane
SMILESCC.CCC(CC)(CC)CC.CCC1CC1.CCO
InChIInChI=1S/C9H20.C5H10.C2H6O.C2H6/c1-5-9(6-2,7-3)8-4;1-2-5-3-4-5;1-2-3;1-2/h5-8H2,1-4H3;5H,2-4H2,1H3;3H,2H2,1H3;1-2H3
InChIKeyNQSSMBDXYMIHQD-UHFFFAOYSA-N
MW274.53 g/mol
LogP6.44
Rot. Bonds5

About 3,3-diethylpentane;ethane;ethanol;ethylcyclopropane

3,3-diethylpentane;ethane;ethanol;ethylcyclopropane (PubChem CID 168967387) has the molecular formula C18H42O and a molecular weight of 274.53 g/mol. Its IUPAC name is 3,3-diethylpentane;ethane;ethanol;ethylcyclopropane.

Molecular Properties

Compound Name3,3-diethylpentane;ethane;ethanol;ethylcyclopropane
PubChem CID168967387
Molecular FormulaC18H42O
Molecular Weight274.53 g/mol
Exact Mass274.32
IUPAC Name3,3-diethylpentane;ethane;ethanol;ethylcyclopropane
SMILESCC.CCC(CC)(CC)CC.CCC1CC1.CCO
InChIInChI=1S/C9H20.C5H10.C2H6O.C2H6/c1-5-9(6-2,7-3)8-4;1-2-5-3-4-5;1-2-3;1-2/h5-8H2,1-4H3;5H,2-4H2,1H3;3H,2H2,1H3;1-2H3
InChIKeyNQSSMBDXYMIHQD-UHFFFAOYSA-N
XLogP6.44
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.53
LogP ≤ 56.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;ethylcyclopropane
CID 91380076
azane;ethylcyclopropane
CID 20975579
ethanamine;ethylcyclopropane
CID 70018487
1-ethyl-4-(4-ethylcyclohexyl)cyclohexane
CID 19850408
1,4-bis(4-ethylcyclohexyl)cyclohexane
CID 21015051
ethane;bis(ethylcyclopentane)
CID 158911237
ethenol;ethylcyclopropane
CID 18331953
acetic acid;ethylcyclopropane
CID 175213909
ethane;1-ethyl-4-propylcyclohexane;2-methylpropane
CID 166536374
2-[[(4-ethylcyclohexyl)methylamino]methyl]-2-methylbutan-1-ol
CID 81419618
1-ethyl-4-(2-fluoroethyl)cyclohexane
CID 18344113
[(1R,3R)-3-ethylcyclopentyl]methanol
CID 14940085

Frequently Asked Questions

What is the IUPAC name of 3,3-diethylpentane;ethane;ethanol;ethylcyclopropane?
The IUPAC name of 3,3-diethylpentane;ethane;ethanol;ethylcyclopropane (CID 168967387) is 3,3-diethylpentane;ethane;ethanol;ethylcyclopropane.
What is the SMILES notation for 3,3-diethylpentane;ethane;ethanol;ethylcyclopropane?
The canonical SMILES for 3,3-diethylpentane;ethane;ethanol;ethylcyclopropane is CC.CCC(CC)(CC)CC.CCC1CC1.CCO.
What is the InChIKey of 3,3-diethylpentane;ethane;ethanol;ethylcyclopropane?
The InChIKey is NQSSMBDXYMIHQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20.C5H10.C2H6O.C2H6/c1-5-9(6-2,7-3)8-4;1-2-5-3-4-5;1-2-3;1-2/h5-8H2,1-4H3;5H,2-4H2,1H3;3H,2H2,1H3;1-2H3.
What are the key properties of 3,3-diethylpentane;ethane;ethanol;ethylcyclopropane?
3,3-diethylpentane;ethane;ethanol;ethylcyclopropane has a molecular weight of 274.53 g/mol, XLogP of 6.44, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diethylpentane;ethane;ethanol;ethylcyclopropane is sourced from PubChem (CID 168967387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).