ethane;4-(methoxymethyl)heptane;propane

C14H34O — CID 168880885

IUPACethane;4-(methoxymethyl)heptane;propane
SMILESCC.CCC.CCCC(CCC)COC
InChIInChI=1S/C9H20O.C3H8.C2H6/c1-4-6-9(7-5-2)8-10-3;1-3-2;1-2/h9H,4-8H2,1-3H3;3H2,1-2H3;1-2H3
InChIKeyJQIHSRLAFKGTAR-UHFFFAOYSA-N
MW218.42 g/mol
LogP5.29
Rot. Bonds6

About ethane;4-(methoxymethyl)heptane;propane

ethane;4-(methoxymethyl)heptane;propane (PubChem CID 168880885) has the molecular formula C14H34O and a molecular weight of 218.42 g/mol. Its IUPAC name is ethane;4-(methoxymethyl)heptane;propane.

Molecular Properties

Compound Nameethane;4-(methoxymethyl)heptane;propane
PubChem CID168880885
Molecular FormulaC14H34O
Molecular Weight218.42 g/mol
Exact Mass218.26
IUPAC Nameethane;4-(methoxymethyl)heptane;propane
SMILESCC.CCC.CCCC(CCC)COC
InChIInChI=1S/C9H20O.C3H8.C2H6/c1-4-6-9(7-5-2)8-10-3;1-3-2;1-2/h9H,4-8H2,1-3H3;3H2,1-2H3;1-2H3
InChIKeyJQIHSRLAFKGTAR-UHFFFAOYSA-N
XLogP5.29
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500218.42
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethane;4-(methoxymethyl)heptane;propane?
The IUPAC name of ethane;4-(methoxymethyl)heptane;propane (CID 168880885) is ethane;4-(methoxymethyl)heptane;propane.
What is the SMILES notation for ethane;4-(methoxymethyl)heptane;propane?
The canonical SMILES for ethane;4-(methoxymethyl)heptane;propane is CC.CCC.CCCC(CCC)COC.
What is the InChIKey of ethane;4-(methoxymethyl)heptane;propane?
The InChIKey is JQIHSRLAFKGTAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O.C3H8.C2H6/c1-4-6-9(7-5-2)8-10-3;1-3-2;1-2/h9H,4-8H2,1-3H3;3H2,1-2H3;1-2H3.
What are the key properties of ethane;4-(methoxymethyl)heptane;propane?
ethane;4-(methoxymethyl)heptane;propane has a molecular weight of 218.42 g/mol, XLogP of 5.29, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-(methoxymethyl)heptane;propane is sourced from PubChem (CID 168880885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).