5-[(2-methylpropan-2-yl)oxy]pentyl formate

C10H20O3 — CID 54572976

IUPAC5-[(2-methylpropan-2-yl)oxy]pentyl formate
SMILESCC(C)(C)OCCCCCOC=O
InChIInChI=1S/C10H20O3/c1-10(2,3)13-8-6-4-5-7-12-9-11/h9H,4-8H2,1-3H3
InChIKeyDSEQFINGPQASMC-UHFFFAOYSA-N
MW188.27 g/mol
LogP2.14
Rot. Bonds7

About 5-[(2-methylpropan-2-yl)oxy]pentyl formate

5-[(2-methylpropan-2-yl)oxy]pentyl formate (PubChem CID 54572976) has the molecular formula C10H20O3 and a molecular weight of 188.27 g/mol. Its IUPAC name is 5-[(2-methylpropan-2-yl)oxy]pentyl formate.

Molecular Properties

Compound Name5-[(2-methylpropan-2-yl)oxy]pentyl formate
PubChem CID54572976
Molecular FormulaC10H20O3
Molecular Weight188.27 g/mol
Exact Mass188.14
IUPAC Name5-[(2-methylpropan-2-yl)oxy]pentyl formate
SMILESCC(C)(C)OCCCCCOC=O
InChIInChI=1S/C10H20O3/c1-10(2,3)13-8-6-4-5-7-12-9-11/h9H,4-8H2,1-3H3
InChIKeyDSEQFINGPQASMC-UHFFFAOYSA-N
XLogP2.14
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-methylpropan-2-yl)oxy]pentyl formate?
The IUPAC name of 5-[(2-methylpropan-2-yl)oxy]pentyl formate (CID 54572976) is 5-[(2-methylpropan-2-yl)oxy]pentyl formate.
What is the SMILES notation for 5-[(2-methylpropan-2-yl)oxy]pentyl formate?
The canonical SMILES for 5-[(2-methylpropan-2-yl)oxy]pentyl formate is CC(C)(C)OCCCCCOC=O.
What is the InChIKey of 5-[(2-methylpropan-2-yl)oxy]pentyl formate?
The InChIKey is DSEQFINGPQASMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O3/c1-10(2,3)13-8-6-4-5-7-12-9-11/h9H,4-8H2,1-3H3.
What are the key properties of 5-[(2-methylpropan-2-yl)oxy]pentyl formate?
5-[(2-methylpropan-2-yl)oxy]pentyl formate has a molecular weight of 188.27 g/mol, XLogP of 2.14, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methylpropan-2-yl)oxy]pentyl formate is sourced from PubChem (CID 54572976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).