2-(3-methylbutyl)oxan-4-ol

C10H20O2 — CID 131071462

IUPAC2-(3-methylbutyl)oxan-4-ol
SMILESCC(C)CCC1CC(O)CCO1
InChIInChI=1S/C10H20O2/c1-8(2)3-4-10-7-9(11)5-6-12-10/h8-11H,3-7H2,1-2H3
InChIKeyICLKBGQZGUFGSO-UHFFFAOYSA-N
MW172.27 g/mol
LogP1.96
Rot. Bonds3

About 2-(3-methylbutyl)oxan-4-ol

2-(3-methylbutyl)oxan-4-ol (PubChem CID 131071462) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 2-(3-methylbutyl)oxan-4-ol.

Molecular Properties

Compound Name2-(3-methylbutyl)oxan-4-ol
PubChem CID131071462
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name2-(3-methylbutyl)oxan-4-ol
SMILESCC(C)CCC1CC(O)CCO1
InChIInChI=1S/C10H20O2/c1-8(2)3-4-10-7-9(11)5-6-12-10/h8-11H,3-7H2,1-2H3
InChIKeyICLKBGQZGUFGSO-UHFFFAOYSA-N
XLogP1.96
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbutyl)oxan-4-ol?
The IUPAC name of 2-(3-methylbutyl)oxan-4-ol (CID 131071462) is 2-(3-methylbutyl)oxan-4-ol.
What is the SMILES notation for 2-(3-methylbutyl)oxan-4-ol?
The canonical SMILES for 2-(3-methylbutyl)oxan-4-ol is CC(C)CCC1CC(O)CCO1.
What is the InChIKey of 2-(3-methylbutyl)oxan-4-ol?
The InChIKey is ICLKBGQZGUFGSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-8(2)3-4-10-7-9(11)5-6-12-10/h8-11H,3-7H2,1-2H3.
What are the key properties of 2-(3-methylbutyl)oxan-4-ol?
2-(3-methylbutyl)oxan-4-ol has a molecular weight of 172.27 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbutyl)oxan-4-ol is sourced from PubChem (CID 131071462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).