Methane;2-methoxybutan-1-ol;2-(methoxymethyl)butan-1-ol;1-methoxypropane

Name: Methane;2-methoxybutan-1-ol;2-(methoxymethyl)butan-1-ol;1-methoxypropane — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₇H₄₄O₅ — CID 157097791

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPACmethane;2-methoxybutan-1-ol;2-(methoxymethyl)butan-1-ol;1-methoxypropane

SMILESC.C.CCC(CO)COC.CCC(CO)OC.CCCOC

InChIInChI=1S/C6H14O2.C5H12O2.C4H10O.2CH4/c1-3-6(4-7)5-8-2;1-3-5(4-6)7-2;1-3-4-5-2;;/h6-7H,3-5H2,1-2H3;5-6H,3-4H2,1-2H3;3-4H2,1-2H3;2*1H4

InChIKeyAFKGZHYXOACENK-UHFFFAOYSA-N

MW328.53 g/mol

LogP3.37

Rot. Bonds9

About Methane;2-methoxybutan-1-ol;2-(methoxymethyl)butan-1-ol;1-methoxypropane

Methane;2-methoxybutan-1-ol;2-(methoxymethyl)butan-1-ol;1-methoxypropane (PubChem CID 157097791) has the molecular formula C₁₇H₄₄O₅ and a molecular weight of 328.53 g/mol. Its IUPAC name is methane;2-methoxybutan-1-ol;2-(methoxymethyl)butan-1-ol;1-methoxypropane.

Molecular Properties

Compound Name	Methane;2-methoxybutan-1-ol;2-(methoxymethyl)butan-1-ol;1-methoxypropane
PubChem CID	157097791
Molecular Formula	C₁₇H₄₄O₅
Molecular Weight	328.53 g/mol
Exact Mass	328.32
IUPAC Name	methane;2-methoxybutan-1-ol;2-(methoxymethyl)butan-1-ol;1-methoxypropane
SMILES	C.C.CCC(CO)COC.CCC(CO)OC.CCCOC
InChI	InChI=1S/C6H14O2.C5H12O2.C4H10O.2CH4/c1-3-6(4-7)5-8-2;1-3-5(4-6)7-2;1-3-4-5-2;;/h6-7H,3-5H2,1-2H3;5-6H,3-4H2,1-2H3;3-4H2,1-2H3;2*1H4
InChIKey	AFKGZHYXOACENK-UHFFFAOYSA-N
XLogP	3.37
TPSA	68.15 Å²
H-Bond Donors	2
H-Bond Acceptors	5
Rotatable Bonds	9
Heavy Atoms	22
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	328.53
LogP ≤ 5	3.37
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of Methane;2-methoxybutan-1-ol;2-(methoxymethyl)butan-1-ol;1-methoxypropane?

The IUPAC name of Methane;2-methoxybutan-1-ol;2-(methoxymethyl)butan-1-ol;1-methoxypropane (CID 157097791) is methane;2-methoxybutan-1-ol;2-(methoxymethyl)butan-1-ol;1-methoxypropane.

What is the SMILES notation for Methane;2-methoxybutan-1-ol;2-(methoxymethyl)butan-1-ol;1-methoxypropane?

The canonical SMILES for Methane;2-methoxybutan-1-ol;2-(methoxymethyl)butan-1-ol;1-methoxypropane is C.C.CCC(CO)COC.CCC(CO)OC.CCCOC.

What is the InChIKey of Methane;2-methoxybutan-1-ol;2-(methoxymethyl)butan-1-ol;1-methoxypropane?

The InChIKey is AFKGZHYXOACENK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O2.C5H12O2.C4H10O.2CH4/c1-3-6(4-7)5-8-2;1-3-5(4-6)7-2;1-3-4-5-2;;/h6-7H,3-5H2,1-2H3;5-6H,3-4H2,1-2H3;3-4H2,1-2H3;2*1H4.

What are the key properties of Methane;2-methoxybutan-1-ol;2-(methoxymethyl)butan-1-ol;1-methoxypropane?

Methane;2-methoxybutan-1-ol;2-(methoxymethyl)butan-1-ol;1-methoxypropane has a molecular weight of 328.53 g/mol, XLogP of 3.37, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for Methane;2-methoxybutan-1-ol;2-(methoxymethyl)butan-1-ol;1-methoxypropane is sourced from PubChem (CID 157097791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 157097791 — identifiers, structure, computed properties (public domain)

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