4-(methoxymethyl)octane

C10H22O — CID 59274500

IUPAC4-(methoxymethyl)octane
SMILESCCCCC(CCC)COC
InChIInChI=1S/C10H22O/c1-4-6-8-10(7-5-2)9-11-3/h10H,4-9H2,1-3H3
InChIKeyLFCLQYUYSMUXLD-UHFFFAOYSA-N
MW158.28 g/mol
LogP3.24
Rot. Bonds7

About 4-(methoxymethyl)octane

4-(methoxymethyl)octane (PubChem CID 59274500) has the molecular formula C10H22O and a molecular weight of 158.28 g/mol. Its IUPAC name is 4-(methoxymethyl)octane.

Molecular Properties

Compound Name4-(methoxymethyl)octane
PubChem CID59274500
Molecular FormulaC10H22O
Molecular Weight158.28 g/mol
Exact Mass158.17
IUPAC Name4-(methoxymethyl)octane
SMILESCCCCC(CCC)COC
InChIInChI=1S/C10H22O/c1-4-6-8-10(7-5-2)9-11-3/h10H,4-9H2,1-3H3
InChIKeyLFCLQYUYSMUXLD-UHFFFAOYSA-N
XLogP3.24
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.28
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)octane?
The IUPAC name of 4-(methoxymethyl)octane (CID 59274500) is 4-(methoxymethyl)octane.
What is the SMILES notation for 4-(methoxymethyl)octane?
The canonical SMILES for 4-(methoxymethyl)octane is CCCCC(CCC)COC.
What is the InChIKey of 4-(methoxymethyl)octane?
The InChIKey is LFCLQYUYSMUXLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O/c1-4-6-8-10(7-5-2)9-11-3/h10H,4-9H2,1-3H3.
What are the key properties of 4-(methoxymethyl)octane?
4-(methoxymethyl)octane has a molecular weight of 158.28 g/mol, XLogP of 3.24, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)octane is sourced from PubChem (CID 59274500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).