1-(3-methylbutoxy)ethyl formate

C8H16O3 — CID 173200690

IUPAC1-(3-methylbutoxy)ethyl formate
SMILESCC(C)CCOC(C)OC=O
InChIInChI=1S/C8H16O3/c1-7(2)4-5-10-8(3)11-6-9/h6-8H,4-5H2,1-3H3
InChIKeyWEONEBDSHFHZKZ-UHFFFAOYSA-N
MW160.21 g/mol
LogP1.57
Rot. Bonds6

About 1-(3-methylbutoxy)ethyl formate

1-(3-methylbutoxy)ethyl formate (PubChem CID 173200690) has the molecular formula C8H16O3 and a molecular weight of 160.21 g/mol. Its IUPAC name is 1-(3-methylbutoxy)ethyl formate.

Molecular Properties

Compound Name1-(3-methylbutoxy)ethyl formate
PubChem CID173200690
Molecular FormulaC8H16O3
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Name1-(3-methylbutoxy)ethyl formate
SMILESCC(C)CCOC(C)OC=O
InChIInChI=1S/C8H16O3/c1-7(2)4-5-10-8(3)11-6-9/h6-8H,4-5H2,1-3H3
InChIKeyWEONEBDSHFHZKZ-UHFFFAOYSA-N
XLogP1.57
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.21
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-[2-(2,2,2-trichloroethoxy)ethoxy]ethyl formate
CID 90948172
1-(2-hexoxyethoxy)ethyl formate
CID 173130576
2-(1-formyloxyethoxy)acetic acid
CID 88859959
2-(3-methylbutoxy)butyl formate
CID 58489169
3-methylbutyl 4-formyloxy-3-methylpentanoate
CID 57250231
2-(1-formyloxyethoxy)ethyl adamantane-1-carboxylate
CID 21083076
propan-2-yl formate;dihydrochloride
CID 141306590
3-methylbutoxymethanediol
CID 54490534
1-but-3-en-2-yloxy-3-methylbutane
CID 87270981
[1-(3-methylbutoxy)-3-oxopropyl]phosphonic acid
CID 175201868
3-[2-(3-methylbutoxy)ethoxy]propanal
CID 122463238
4-formyloxypentan-2-yl formate
CID 123880614

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbutoxy)ethyl formate?
The IUPAC name of 1-(3-methylbutoxy)ethyl formate (CID 173200690) is 1-(3-methylbutoxy)ethyl formate.
What is the SMILES notation for 1-(3-methylbutoxy)ethyl formate?
The canonical SMILES for 1-(3-methylbutoxy)ethyl formate is CC(C)CCOC(C)OC=O.
What is the InChIKey of 1-(3-methylbutoxy)ethyl formate?
The InChIKey is WEONEBDSHFHZKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3/c1-7(2)4-5-10-8(3)11-6-9/h6-8H,4-5H2,1-3H3.
What are the key properties of 1-(3-methylbutoxy)ethyl formate?
1-(3-methylbutoxy)ethyl formate has a molecular weight of 160.21 g/mol, XLogP of 1.57, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbutoxy)ethyl formate is sourced from PubChem (CID 173200690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).