4-methoxy-1-(2-methyloxan-2-yl)butan-1-ol

C11H22O3 — CID 114854964

IUPAC4-methoxy-1-(2-methyloxan-2-yl)butan-1-ol
SMILESCOCCCC(O)C1(C)CCCCO1
InChIInChI=1S/C11H22O3/c1-11(7-3-4-9-14-11)10(12)6-5-8-13-2/h10,12H,3-9H2,1-2H3
InChIKeyCODZNPRFPVIHNQ-UHFFFAOYSA-N
MW202.29 g/mol
LogP1.73
Rot. Bonds5

About 4-methoxy-1-(2-methyloxan-2-yl)butan-1-ol

4-methoxy-1-(2-methyloxan-2-yl)butan-1-ol (PubChem CID 114854964) has the molecular formula C11H22O3 and a molecular weight of 202.29 g/mol. Its IUPAC name is 4-methoxy-1-(2-methyloxan-2-yl)butan-1-ol.

Molecular Properties

Compound Name4-methoxy-1-(2-methyloxan-2-yl)butan-1-ol
PubChem CID114854964
Molecular FormulaC11H22O3
Molecular Weight202.29 g/mol
Exact Mass202.16
IUPAC Name4-methoxy-1-(2-methyloxan-2-yl)butan-1-ol
SMILESCOCCCC(O)C1(C)CCCCO1
InChIInChI=1S/C11H22O3/c1-11(7-3-4-9-14-11)10(12)6-5-8-13-2/h10,12H,3-9H2,1-2H3
InChIKeyCODZNPRFPVIHNQ-UHFFFAOYSA-N
XLogP1.73
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.29
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-methoxy-N-methyl-1-(2-methyloxan-2-yl)butan-1-amine
CID 114856674
[4-methoxy-1-(2-methyloxan-2-yl)butyl]hydrazine
CID 105256209
1-(2-methyloxan-2-yl)-4-methylsulfonylbutan-1-ol
CID 80683944
4,4-dimethyl-1-(2-methyloxan-2-yl)pentan-1-ol
CID 80684519
2-cyclopropyl-1-(2-methyloxan-2-yl)ethanol
CID 80684699
4-methoxy-1-[1-(2-methylpropyl)cyclopentyl]butan-1-ol
CID 115839615
1-[1-(diethylamino)cyclopentyl]-4-methoxybutan-1-ol
CID 114854829
1-(2-methyloxan-2-yl)-2-(2,4,6-trimethylphenyl)ethanol
CID 80684865
1-(1-hydroxy-3-methoxypropyl)cyclohexan-1-ol
CID 69080756
(2R)-2-(methoxymethyl)-2-[(2R)-5-methoxy-2-methylpentyl]oxolane
CID 130349116
2-(4-chlorophenyl)-1-(2-methyloxan-2-yl)ethanol
CID 80685016
1-(1-ethoxy-4,4-dimethylcyclohexyl)-4-methoxybutan-1-ol
CID 114855143

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-(2-methyloxan-2-yl)butan-1-ol?
The IUPAC name of 4-methoxy-1-(2-methyloxan-2-yl)butan-1-ol (CID 114854964) is 4-methoxy-1-(2-methyloxan-2-yl)butan-1-ol.
What is the SMILES notation for 4-methoxy-1-(2-methyloxan-2-yl)butan-1-ol?
The canonical SMILES for 4-methoxy-1-(2-methyloxan-2-yl)butan-1-ol is COCCCC(O)C1(C)CCCCO1.
What is the InChIKey of 4-methoxy-1-(2-methyloxan-2-yl)butan-1-ol?
The InChIKey is CODZNPRFPVIHNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O3/c1-11(7-3-4-9-14-11)10(12)6-5-8-13-2/h10,12H,3-9H2,1-2H3.
What are the key properties of 4-methoxy-1-(2-methyloxan-2-yl)butan-1-ol?
4-methoxy-1-(2-methyloxan-2-yl)butan-1-ol has a molecular weight of 202.29 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-(2-methyloxan-2-yl)butan-1-ol is sourced from PubChem (CID 114854964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).