ethane;4-(methoxymethyl)heptane

C11H26O — CID 143771206

IUPACethane;4-(methoxymethyl)heptane
SMILESCC.CCCC(CCC)COC
InChIInChI=1S/C9H20O.C2H6/c1-4-6-9(7-5-2)8-10-3;1-2/h9H,4-8H2,1-3H3;1-2H3
InChIKeyYNJKEGQKSCMFKT-UHFFFAOYSA-N
MW174.33 g/mol
LogP3.88
Rot. Bonds6

About ethane;4-(methoxymethyl)heptane

ethane;4-(methoxymethyl)heptane (PubChem CID 143771206) has the molecular formula C11H26O and a molecular weight of 174.33 g/mol. Its IUPAC name is ethane;4-(methoxymethyl)heptane.

Molecular Properties

Compound Nameethane;4-(methoxymethyl)heptane
PubChem CID143771206
Molecular FormulaC11H26O
Molecular Weight174.33 g/mol
Exact Mass174.20
IUPAC Nameethane;4-(methoxymethyl)heptane
SMILESCC.CCCC(CCC)COC
InChIInChI=1S/C9H20O.C2H6/c1-4-6-9(7-5-2)8-10-3;1-2/h9H,4-8H2,1-3H3;1-2H3
InChIKeyYNJKEGQKSCMFKT-UHFFFAOYSA-N
XLogP3.88
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.33
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;4-(methoxymethyl)heptane?
The IUPAC name of ethane;4-(methoxymethyl)heptane (CID 143771206) is ethane;4-(methoxymethyl)heptane.
What is the SMILES notation for ethane;4-(methoxymethyl)heptane?
The canonical SMILES for ethane;4-(methoxymethyl)heptane is CC.CCCC(CCC)COC.
What is the InChIKey of ethane;4-(methoxymethyl)heptane?
The InChIKey is YNJKEGQKSCMFKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O.C2H6/c1-4-6-9(7-5-2)8-10-3;1-2/h9H,4-8H2,1-3H3;1-2H3.
What are the key properties of ethane;4-(methoxymethyl)heptane?
ethane;4-(methoxymethyl)heptane has a molecular weight of 174.33 g/mol, XLogP of 3.88, 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 is sourced from PubChem (CID 143771206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).