(3-ethyl-2,3-dimethylpentyl) formate

C10H20O2 — CID 87470285

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

About (3-ethyl-2,3-dimethylpentyl) formate

(3-ethyl-2,3-dimethylpentyl) formate (PubChem CID 87470285) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is (3-ethyl-2,3-dimethylpentyl) formate.

Molecular Properties

Compound Name(3-ethyl-2,3-dimethylpentyl) formate
PubChem CID87470285
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name(3-ethyl-2,3-dimethylpentyl) formate
SMILESCCC(C)(CC)C(C)COC=O
InChIInChI=1S/C10H20O2/c1-5-10(4,6-2)9(3)7-12-8-11/h8-9H,5-7H2,1-4H3
InChIKeyHWZJPSBEKGMBAC-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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Related Compounds

2-iodopropyl formate
CID 87289117
(2-methyl-2-propan-2-ylpentyl) formate
CID 87469777
2-methylpropyl formate;propanenitrile
CID 88724713
2-tert-butylheptyl formate
CID 174596162
2-methyldecyl formate
CID 174806813
2-ethylpentyl formate
CID 19982810
6-ethyl-3,5,6-trimethyloct-2-ene
CID 91251673
3-ethyl-3,4,6,7,8-pentamethyldecane
CID 123231235
2-(3-methylbutoxy)butyl formate
CID 58489169
8-ethyl-2,7,8-trimethyldecane
CID 90813779
3,5-diethyl-3,5-dimethylheptan-4-ol
CID 58905143
lithium;ethyl formate;hydroxide
CID 174914217

Frequently Asked Questions

What is the IUPAC name of (3-ethyl-2,3-dimethylpentyl) formate?
The IUPAC name of (3-ethyl-2,3-dimethylpentyl) formate (CID 87470285) is (3-ethyl-2,3-dimethylpentyl) formate.
What is the SMILES notation for (3-ethyl-2,3-dimethylpentyl) formate?
The canonical SMILES for (3-ethyl-2,3-dimethylpentyl) formate is CCC(C)(CC)C(C)COC=O.
What is the InChIKey of (3-ethyl-2,3-dimethylpentyl) formate?
The InChIKey is HWZJPSBEKGMBAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-5-10(4,6-2)9(3)7-12-8-11/h8-9H,5-7H2,1-4H3.
What are the key properties of (3-ethyl-2,3-dimethylpentyl) formate?
(3-ethyl-2,3-dimethylpentyl) 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 (3-ethyl-2,3-dimethylpentyl) formate is sourced from PubChem (CID 87470285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).