2-(3-methylbutoxy)butyl formate

C10H20O3 — CID 58489169

IUPAC2-(3-methylbutoxy)butyl formate
SMILESCCC(COC=O)OCCC(C)C
InChIInChI=1S/C10H20O3/c1-4-10(7-12-8-11)13-6-5-9(2)3/h8-10H,4-7H2,1-3H3
InChIKeyIUEGYOMZRCLWCP-UHFFFAOYSA-N
MW188.27 g/mol
LogP2.00
Rot. Bonds8

About 2-(3-methylbutoxy)butyl formate

2-(3-methylbutoxy)butyl formate (PubChem CID 58489169) has the molecular formula C10H20O3 and a molecular weight of 188.27 g/mol. Its IUPAC name is 2-(3-methylbutoxy)butyl formate.

Molecular Properties

Compound Name2-(3-methylbutoxy)butyl formate
PubChem CID58489169
Molecular FormulaC10H20O3
Molecular Weight188.27 g/mol
Exact Mass188.14
IUPAC Name2-(3-methylbutoxy)butyl formate
SMILESCCC(COC=O)OCCC(C)C
InChIInChI=1S/C10H20O3/c1-4-10(7-12-8-11)13-6-5-9(2)3/h8-10H,4-7H2,1-3H3
InChIKeyIUEGYOMZRCLWCP-UHFFFAOYSA-N
XLogP2.00
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-propoxybutyl formate
CID 56995849
1-(3-methylbutoxy)ethyl formate
CID 173200690
3-(3-methylbutoxy)pentanenitrile
CID 43367899
2-iodopropyl formate
CID 87289117
2-ethylpentyl formate
CID 19982810
N-[2-(3-methylbutoxy)butyl]cyclopropanamine
CID 62445151
1-(2-butoxybutoxy)-17-methyloctadecane
CID 126586639
2-methylpropyl formate;propanenitrile
CID 88724713
(5-formyloxy-3-methylpentyl) formate
CID 91318391
2-methyldecyl formate
CID 174806813
2-[2-(2-butan-2-yloxyethoxy)ethoxy]ethyl formate
CID 139655550
1-(1-ethoxypropoxy)-3-methylbutane
CID 53422435

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbutoxy)butyl formate?
The IUPAC name of 2-(3-methylbutoxy)butyl formate (CID 58489169) is 2-(3-methylbutoxy)butyl formate.
What is the SMILES notation for 2-(3-methylbutoxy)butyl formate?
The canonical SMILES for 2-(3-methylbutoxy)butyl formate is CCC(COC=O)OCCC(C)C.
What is the InChIKey of 2-(3-methylbutoxy)butyl formate?
The InChIKey is IUEGYOMZRCLWCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O3/c1-4-10(7-12-8-11)13-6-5-9(2)3/h8-10H,4-7H2,1-3H3.
What are the key properties of 2-(3-methylbutoxy)butyl formate?
2-(3-methylbutoxy)butyl formate has a molecular weight of 188.27 g/mol, XLogP of 2.00, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbutoxy)butyl formate is sourced from PubChem (CID 58489169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).