3-(3-methylpentoxy)pentan-2-ol

C11H24O2 — CID 19808024

IUPAC3-(3-methylpentoxy)pentan-2-ol
SMILESCCC(C)CCOC(CC)C(C)O
InChIInChI=1S/C11H24O2/c1-5-9(3)7-8-13-11(6-2)10(4)12/h9-12H,5-8H2,1-4H3
InChIKeyVAGPOFHEQOVJAH-UHFFFAOYSA-N
MW188.31 g/mol
LogP2.60
Rot. Bonds7

About 3-(3-methylpentoxy)pentan-2-ol

3-(3-methylpentoxy)pentan-2-ol (PubChem CID 19808024) has the molecular formula C11H24O2 and a molecular weight of 188.31 g/mol. Its IUPAC name is 3-(3-methylpentoxy)pentan-2-ol.

Molecular Properties

Compound Name3-(3-methylpentoxy)pentan-2-ol
PubChem CID19808024
Molecular FormulaC11H24O2
Molecular Weight188.31 g/mol
Exact Mass188.18
IUPAC Name3-(3-methylpentoxy)pentan-2-ol
SMILESCCC(C)CCOC(CC)C(C)O
InChIInChI=1S/C11H24O2/c1-5-9(3)7-8-13-11(6-2)10(4)12/h9-12H,5-8H2,1-4H3
InChIKeyVAGPOFHEQOVJAH-UHFFFAOYSA-N
XLogP2.60
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methylpentoxy)pentan-2-ol?
The IUPAC name of 3-(3-methylpentoxy)pentan-2-ol (CID 19808024) is 3-(3-methylpentoxy)pentan-2-ol.
What is the SMILES notation for 3-(3-methylpentoxy)pentan-2-ol?
The canonical SMILES for 3-(3-methylpentoxy)pentan-2-ol is CCC(C)CCOC(CC)C(C)O.
What is the InChIKey of 3-(3-methylpentoxy)pentan-2-ol?
The InChIKey is VAGPOFHEQOVJAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O2/c1-5-9(3)7-8-13-11(6-2)10(4)12/h9-12H,5-8H2,1-4H3.
What are the key properties of 3-(3-methylpentoxy)pentan-2-ol?
3-(3-methylpentoxy)pentan-2-ol has a molecular weight of 188.31 g/mol, XLogP of 2.60, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylpentoxy)pentan-2-ol is sourced from PubChem (CID 19808024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).