[5-(butoxymethyl)oxan-2-yl]methanol

C11H22O3 — CID 71178277

IUPAC[5-(butoxymethyl)oxan-2-yl]methanol
SMILESCCCCOCC1CCC(CO)OC1
InChIInChI=1S/C11H22O3/c1-2-3-6-13-8-10-4-5-11(7-12)14-9-10/h10-12H,2-9H2,1H3
InChIKeyDJXPCDMDJHZBLS-UHFFFAOYSA-N
MW202.29 g/mol
LogP1.59
Rot. Bonds6

About [5-(butoxymethyl)oxan-2-yl]methanol

[5-(butoxymethyl)oxan-2-yl]methanol (PubChem CID 71178277) has the molecular formula C11H22O3 and a molecular weight of 202.29 g/mol. Its IUPAC name is [5-(butoxymethyl)oxan-2-yl]methanol.

Molecular Properties

Compound Name[5-(butoxymethyl)oxan-2-yl]methanol
PubChem CID71178277
Molecular FormulaC11H22O3
Molecular Weight202.29 g/mol
Exact Mass202.16
IUPAC Name[5-(butoxymethyl)oxan-2-yl]methanol
SMILESCCCCOCC1CCC(CO)OC1
InChIInChI=1S/C11H22O3/c1-2-3-6-13-8-10-4-5-11(7-12)14-9-10/h10-12H,2-9H2,1H3
InChIKeyDJXPCDMDJHZBLS-UHFFFAOYSA-N
XLogP1.59
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.29
LogP ≤ 51.59
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

[(2R,4R)-4-(octadecoxymethyl)oxolan-2-yl]methanol
CID 67903515
[(2S,4S)-4-(dodecoxymethyl)oxolan-2-yl]methanol
CID 18644179
[4-(octadecoxymethyl)oxolan-2-yl]methanol
CID 14785833
[5-(octadecoxymethyl)oxolan-3-yl]methanol
CID 14785862
2-(hexadecoxymethyl)-4-(hexoxymethyl)oxolane
CID 57195550
oxiran-2-ylmethanol;1-pentoxypentane
CID 174542251
CID 166063430
CID 166063430
1-hexoxyhexane;oxiran-2-ylmethanol
CID 87532682
2-(pentoxymethyl)oxirane
CID 160890113
[(2R,5R)-5-(propoxymethyl)oxolan-2-yl]methanol
CID 122607745
2-(butoxymethyl)oxirane;oxonane
CID 20569142
[(2R,4R)-4-(hexadecoxymethyl)oxetan-2-yl]methanol
CID 139910442

Frequently Asked Questions

What is the IUPAC name of [5-(butoxymethyl)oxan-2-yl]methanol?
The IUPAC name of [5-(butoxymethyl)oxan-2-yl]methanol (CID 71178277) is [5-(butoxymethyl)oxan-2-yl]methanol.
What is the SMILES notation for [5-(butoxymethyl)oxan-2-yl]methanol?
The canonical SMILES for [5-(butoxymethyl)oxan-2-yl]methanol is CCCCOCC1CCC(CO)OC1.
What is the InChIKey of [5-(butoxymethyl)oxan-2-yl]methanol?
The InChIKey is DJXPCDMDJHZBLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O3/c1-2-3-6-13-8-10-4-5-11(7-12)14-9-10/h10-12H,2-9H2,1H3.
What are the key properties of [5-(butoxymethyl)oxan-2-yl]methanol?
[5-(butoxymethyl)oxan-2-yl]methanol has a molecular weight of 202.29 g/mol, XLogP of 1.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(butoxymethyl)oxan-2-yl]methanol is sourced from PubChem (CID 71178277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).