[2-methyl-1-(oxan-3-yl)propyl] formate

C10H18O3 — CID 175408553

IUPAC[2-methyl-1-(oxan-3-yl)propyl] formate
SMILESCC(C)C(OC=O)C1CCCOC1
InChIInChI=1S/C10H18O3/c1-8(2)10(13-7-11)9-4-3-5-12-6-9/h7-10H,3-6H2,1-2H3
InChIKeyQHJHVMLKRITOIQ-UHFFFAOYSA-N
MW186.25 g/mol
LogP1.61
Rot. Bonds4

About [2-methyl-1-(oxan-3-yl)propyl] formate

[2-methyl-1-(oxan-3-yl)propyl] formate (PubChem CID 175408553) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is [2-methyl-1-(oxan-3-yl)propyl] formate.

Molecular Properties

Compound Name[2-methyl-1-(oxan-3-yl)propyl] formate
PubChem CID175408553
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name[2-methyl-1-(oxan-3-yl)propyl] formate
SMILESCC(C)C(OC=O)C1CCCOC1
InChIInChI=1S/C10H18O3/c1-8(2)10(13-7-11)9-4-3-5-12-6-9/h7-10H,3-6H2,1-2H3
InChIKeyQHJHVMLKRITOIQ-UHFFFAOYSA-N
XLogP1.61
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze [2-methyl-1-(oxan-3-yl)propyl] formate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-methyl-1-(oxan-3-yl)propyl] formate?
The IUPAC name of [2-methyl-1-(oxan-3-yl)propyl] formate (CID 175408553) is [2-methyl-1-(oxan-3-yl)propyl] formate.
What is the SMILES notation for [2-methyl-1-(oxan-3-yl)propyl] formate?
The canonical SMILES for [2-methyl-1-(oxan-3-yl)propyl] formate is CC(C)C(OC=O)C1CCCOC1.
What is the InChIKey of [2-methyl-1-(oxan-3-yl)propyl] formate?
The InChIKey is QHJHVMLKRITOIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-8(2)10(13-7-11)9-4-3-5-12-6-9/h7-10H,3-6H2,1-2H3.
What are the key properties of [2-methyl-1-(oxan-3-yl)propyl] formate?
[2-methyl-1-(oxan-3-yl)propyl] formate has a molecular weight of 186.25 g/mol, XLogP of 1.61, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-1-(oxan-3-yl)propyl] formate is sourced from PubChem (CID 175408553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).