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

C10H22O2 — CID 138690403

IUPAC4-methyl-2-(propan-2-yloxymethyl)pentan-1-ol
SMILESCC(C)CC(CO)COC(C)C
InChIInChI=1S/C10H22O2/c1-8(2)5-10(6-11)7-12-9(3)4/h8-11H,5-7H2,1-4H3
InChIKeyVPSLYSYOSHVWBY-UHFFFAOYSA-N
MW174.28 g/mol
LogP2.07
Rot. Bonds6

About 4-methyl-2-(propan-2-yloxymethyl)pentan-1-ol

4-methyl-2-(propan-2-yloxymethyl)pentan-1-ol (PubChem CID 138690403) has the molecular formula C10H22O2 and a molecular weight of 174.28 g/mol. Its IUPAC name is 4-methyl-2-(propan-2-yloxymethyl)pentan-1-ol.

Molecular Properties

Compound Name4-methyl-2-(propan-2-yloxymethyl)pentan-1-ol
PubChem CID138690403
Molecular FormulaC10H22O2
Molecular Weight174.28 g/mol
Exact Mass174.16
IUPAC Name4-methyl-2-(propan-2-yloxymethyl)pentan-1-ol
SMILESCC(C)CC(CO)COC(C)C
InChIInChI=1S/C10H22O2/c1-8(2)5-10(6-11)7-12-9(3)4/h8-11H,5-7H2,1-4H3
InChIKeyVPSLYSYOSHVWBY-UHFFFAOYSA-N
XLogP2.07
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.28
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(propan-2-yloxymethyl)pentan-1-ol?
The IUPAC name of 4-methyl-2-(propan-2-yloxymethyl)pentan-1-ol (CID 138690403) is 4-methyl-2-(propan-2-yloxymethyl)pentan-1-ol.
What is the SMILES notation for 4-methyl-2-(propan-2-yloxymethyl)pentan-1-ol?
The canonical SMILES for 4-methyl-2-(propan-2-yloxymethyl)pentan-1-ol is CC(C)CC(CO)COC(C)C.
What is the InChIKey of 4-methyl-2-(propan-2-yloxymethyl)pentan-1-ol?
The InChIKey is VPSLYSYOSHVWBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O2/c1-8(2)5-10(6-11)7-12-9(3)4/h8-11H,5-7H2,1-4H3.
What are the key properties of 4-methyl-2-(propan-2-yloxymethyl)pentan-1-ol?
4-methyl-2-(propan-2-yloxymethyl)pentan-1-ol has a molecular weight of 174.28 g/mol, XLogP of 2.07, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(propan-2-yloxymethyl)pentan-1-ol is sourced from PubChem (CID 138690403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).