[5-(3-methylbutoxymethyl)oxolan-2-yl]methanol

C11H22O3 — CID 67357677

IUPAC[5-(3-methylbutoxymethyl)oxolan-2-yl]methanol
SMILESCC(C)CCOCC1CCC(CO)O1
InChIInChI=1S/C11H22O3/c1-9(2)5-6-13-8-11-4-3-10(7-12)14-11/h9-12H,3-8H2,1-2H3
InChIKeyRDRBULPVQNQLHU-UHFFFAOYSA-N
MW202.29 g/mol
LogP1.59
Rot. Bonds6

About [5-(3-methylbutoxymethyl)oxolan-2-yl]methanol

[5-(3-methylbutoxymethyl)oxolan-2-yl]methanol (PubChem CID 67357677) has the molecular formula C11H22O3 and a molecular weight of 202.29 g/mol. Its IUPAC name is [5-(3-methylbutoxymethyl)oxolan-2-yl]methanol.

Molecular Properties

Compound Name[5-(3-methylbutoxymethyl)oxolan-2-yl]methanol
PubChem CID67357677
Molecular FormulaC11H22O3
Molecular Weight202.29 g/mol
Exact Mass202.16
IUPAC Name[5-(3-methylbutoxymethyl)oxolan-2-yl]methanol
SMILESCC(C)CCOCC1CCC(CO)O1
InChIInChI=1S/C11H22O3/c1-9(2)5-6-13-8-11-4-3-10(7-12)14-11/h9-12H,3-8H2,1-2H3
InChIKeyRDRBULPVQNQLHU-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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Frequently Asked Questions

What is the IUPAC name of [5-(3-methylbutoxymethyl)oxolan-2-yl]methanol?
The IUPAC name of [5-(3-methylbutoxymethyl)oxolan-2-yl]methanol (CID 67357677) is [5-(3-methylbutoxymethyl)oxolan-2-yl]methanol.
What is the SMILES notation for [5-(3-methylbutoxymethyl)oxolan-2-yl]methanol?
The canonical SMILES for [5-(3-methylbutoxymethyl)oxolan-2-yl]methanol is CC(C)CCOCC1CCC(CO)O1.
What is the InChIKey of [5-(3-methylbutoxymethyl)oxolan-2-yl]methanol?
The InChIKey is RDRBULPVQNQLHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O3/c1-9(2)5-6-13-8-11-4-3-10(7-12)14-11/h9-12H,3-8H2,1-2H3.
What are the key properties of [5-(3-methylbutoxymethyl)oxolan-2-yl]methanol?
[5-(3-methylbutoxymethyl)oxolan-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-(3-methylbutoxymethyl)oxolan-2-yl]methanol is sourced from PubChem (CID 67357677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).