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2-(propan-2-yloxymethyl)pentan-1-ol

C9H20O2 — CID 123951755

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-(propan-2-yloxymethyl)pentan-1-ol
SMILESCCCC(CO)COC(C)C
InChIInChI=1S/C9H20O2/c1-4-5-9(6-10)7-11-8(2)3/h8-10H,4-7H2,1-3H3
InChIKeyAXOFANIOFSLMNF-UHFFFAOYSA-N
MW160.26 g/mol
LogP1.82
Rot. Bonds6

About 2-(propan-2-yloxymethyl)pentan-1-ol

2-(propan-2-yloxymethyl)pentan-1-ol (PubChem CID 123951755) has the molecular formula C9H20O2 and a molecular weight of 160.26 g/mol. Its IUPAC name is 2-(propan-2-yloxymethyl)pentan-1-ol.

Molecular Properties

Compound Name2-(propan-2-yloxymethyl)pentan-1-ol
PubChem CID123951755
Molecular FormulaC9H20O2
Molecular Weight160.26 g/mol
Exact Mass160.15
IUPAC Name2-(propan-2-yloxymethyl)pentan-1-ol
SMILESCCCC(CO)COC(C)C
InChIInChI=1S/C9H20O2/c1-4-5-9(6-10)7-11-8(2)3/h8-10H,4-7H2,1-3H3
InChIKeyAXOFANIOFSLMNF-UHFFFAOYSA-N
XLogP1.82
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(propan-2-yloxymethyl)pentan-1-ol?
The IUPAC name of 2-(propan-2-yloxymethyl)pentan-1-ol (CID 123951755) is 2-(propan-2-yloxymethyl)pentan-1-ol.
What is the SMILES notation for 2-(propan-2-yloxymethyl)pentan-1-ol?
The canonical SMILES for 2-(propan-2-yloxymethyl)pentan-1-ol is CCCC(CO)COC(C)C.
What is the InChIKey of 2-(propan-2-yloxymethyl)pentan-1-ol?
The InChIKey is AXOFANIOFSLMNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O2/c1-4-5-9(6-10)7-11-8(2)3/h8-10H,4-7H2,1-3H3.
What are the key properties of 2-(propan-2-yloxymethyl)pentan-1-ol?
2-(propan-2-yloxymethyl)pentan-1-ol has a molecular weight of 160.26 g/mol, XLogP of 1.82, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propan-2-yloxymethyl)pentan-1-ol is sourced from PubChem (CID 123951755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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