butan-1-ol;3-methoxybutan-1-ol

C9H22O3 — CID 19600384

IUPACbutan-1-ol;3-methoxybutan-1-ol
SMILESCCCCO.COC(C)CCO
InChIInChI=1S/C5H12O2.C4H10O/c1-5(7-2)3-4-6;1-2-3-4-5/h5-6H,3-4H2,1-2H3;5H,2-4H2,1H3
InChIKeyWNQPTTFUIBCROL-UHFFFAOYSA-N
MW178.27 g/mol
LogP1.18
Rot. Bonds5

About butan-1-ol;3-methoxybutan-1-ol

butan-1-ol;3-methoxybutan-1-ol (PubChem CID 19600384) has the molecular formula C9H22O3 and a molecular weight of 178.27 g/mol. Its IUPAC name is butan-1-ol;3-methoxybutan-1-ol.

Molecular Properties

Compound Namebutan-1-ol;3-methoxybutan-1-ol
PubChem CID19600384
Molecular FormulaC9H22O3
Molecular Weight178.27 g/mol
Exact Mass178.16
IUPAC Namebutan-1-ol;3-methoxybutan-1-ol
SMILESCCCCO.COC(C)CCO
InChIInChI=1S/C5H12O2.C4H10O/c1-5(7-2)3-4-6;1-2-3-4-5/h5-6H,3-4H2,1-2H3;5H,2-4H2,1H3
InChIKeyWNQPTTFUIBCROL-UHFFFAOYSA-N
XLogP1.18
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.27
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of butan-1-ol;3-methoxybutan-1-ol?
The IUPAC name of butan-1-ol;3-methoxybutan-1-ol (CID 19600384) is butan-1-ol;3-methoxybutan-1-ol.
What is the SMILES notation for butan-1-ol;3-methoxybutan-1-ol?
The canonical SMILES for butan-1-ol;3-methoxybutan-1-ol is CCCCO.COC(C)CCO.
What is the InChIKey of butan-1-ol;3-methoxybutan-1-ol?
The InChIKey is WNQPTTFUIBCROL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12O2.C4H10O/c1-5(7-2)3-4-6;1-2-3-4-5/h5-6H,3-4H2,1-2H3;5H,2-4H2,1H3.
What are the key properties of butan-1-ol;3-methoxybutan-1-ol?
butan-1-ol;3-methoxybutan-1-ol has a molecular weight of 178.27 g/mol, XLogP of 1.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butan-1-ol;3-methoxybutan-1-ol is sourced from PubChem (CID 19600384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).