2,2,3,4-tetramethylpentan-3-yl formate

C10H20O2 — CID 87469169

IUPAC2,2,3,4-tetramethylpentan-3-yl formate
SMILESCC(C)C(C)(OC=O)C(C)(C)C
InChIInChI=1S/C10H20O2/c1-8(2)10(6,12-7-11)9(3,4)5/h7-8H,1-6H3
InChIKeyXYDJOCTZAHCSLM-UHFFFAOYSA-N
MW172.27 g/mol
LogP2.62
Rot. Bonds3

About 2,2,3,4-tetramethylpentan-3-yl formate

2,2,3,4-tetramethylpentan-3-yl formate (PubChem CID 87469169) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 2,2,3,4-tetramethylpentan-3-yl formate.

Molecular Properties

Compound Name2,2,3,4-tetramethylpentan-3-yl formate
PubChem CID87469169
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name2,2,3,4-tetramethylpentan-3-yl formate
SMILESCC(C)C(C)(OC=O)C(C)(C)C
InChIInChI=1S/C10H20O2/c1-8(2)10(6,12-7-11)9(3,4)5/h7-8H,1-6H3
InChIKeyXYDJOCTZAHCSLM-UHFFFAOYSA-N
XLogP2.62
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
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 2,2,3,4-tetramethylpentan-3-yl formate?
The IUPAC name of 2,2,3,4-tetramethylpentan-3-yl formate (CID 87469169) is 2,2,3,4-tetramethylpentan-3-yl formate.
What is the SMILES notation for 2,2,3,4-tetramethylpentan-3-yl formate?
The canonical SMILES for 2,2,3,4-tetramethylpentan-3-yl formate is CC(C)C(C)(OC=O)C(C)(C)C.
What is the InChIKey of 2,2,3,4-tetramethylpentan-3-yl formate?
The InChIKey is XYDJOCTZAHCSLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-8(2)10(6,12-7-11)9(3,4)5/h7-8H,1-6H3.
What are the key properties of 2,2,3,4-tetramethylpentan-3-yl formate?
2,2,3,4-tetramethylpentan-3-yl formate has a molecular weight of 172.27 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,4-tetramethylpentan-3-yl formate is sourced from PubChem (CID 87469169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).