(2-methyl-2-propan-2-ylpentyl) formate

C10H20O2 — CID 87469777

IUPAC(2-methyl-2-propan-2-ylpentyl) formate
SMILESCCCC(C)(COC=O)C(C)C
InChIInChI=1S/C10H20O2/c1-5-6-10(4,9(2)3)7-12-8-11/h8-9H,5-7H2,1-4H3
InChIKeyWFVLIMMPQWNPRD-UHFFFAOYSA-N
MW172.27 g/mol
LogP2.62
Rot. Bonds6

About (2-methyl-2-propan-2-ylpentyl) formate

(2-methyl-2-propan-2-ylpentyl) formate (PubChem CID 87469777) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is (2-methyl-2-propan-2-ylpentyl) formate.

Molecular Properties

Compound Name(2-methyl-2-propan-2-ylpentyl) formate
PubChem CID87469777
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name(2-methyl-2-propan-2-ylpentyl) formate
SMILESCCCC(C)(COC=O)C(C)C
InChIInChI=1S/C10H20O2/c1-5-6-10(4,9(2)3)7-12-8-11/h8-9H,5-7H2,1-4H3
InChIKeyWFVLIMMPQWNPRD-UHFFFAOYSA-N
XLogP2.62
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-methyl-2-propan-2-ylpentyl) formate?
The IUPAC name of (2-methyl-2-propan-2-ylpentyl) formate (CID 87469777) is (2-methyl-2-propan-2-ylpentyl) formate.
What is the SMILES notation for (2-methyl-2-propan-2-ylpentyl) formate?
The canonical SMILES for (2-methyl-2-propan-2-ylpentyl) formate is CCCC(C)(COC=O)C(C)C.
What is the InChIKey of (2-methyl-2-propan-2-ylpentyl) formate?
The InChIKey is WFVLIMMPQWNPRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-5-6-10(4,9(2)3)7-12-8-11/h8-9H,5-7H2,1-4H3.
What are the key properties of (2-methyl-2-propan-2-ylpentyl) formate?
(2-methyl-2-propan-2-ylpentyl) formate has a molecular weight of 172.27 g/mol, XLogP of 2.62, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-2-propan-2-ylpentyl) formate is sourced from PubChem (CID 87469777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).