1-butan-2-yloxypropan-2-yl formate

C8H16O3 — CID 139655513

IUPAC1-butan-2-yloxypropan-2-yl formate
SMILESCCC(C)OCC(C)OC=O
InChIInChI=1S/C8H16O3/c1-4-7(2)10-5-8(3)11-6-9/h6-8H,4-5H2,1-3H3
InChIKeyHJLZVBBCLNQVRW-UHFFFAOYSA-N
MW160.21 g/mol
LogP1.36
Rot. Bonds6

About 1-butan-2-yloxypropan-2-yl formate

1-butan-2-yloxypropan-2-yl formate (PubChem CID 139655513) has the molecular formula C8H16O3 and a molecular weight of 160.21 g/mol. Its IUPAC name is 1-butan-2-yloxypropan-2-yl formate.

Molecular Properties

Compound Name1-butan-2-yloxypropan-2-yl formate
PubChem CID139655513
Molecular FormulaC8H16O3
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Name1-butan-2-yloxypropan-2-yl formate
SMILESCCC(C)OCC(C)OC=O
InChIInChI=1S/C8H16O3/c1-4-7(2)10-5-8(3)11-6-9/h6-8H,4-5H2,1-3H3
InChIKeyHJLZVBBCLNQVRW-UHFFFAOYSA-N
XLogP1.36
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 ≤ 51.36
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

1-(4-hydroxybutan-2-yloxy)propan-2-yl formate
CID 158947423
4-formyloxypentan-2-yl formate
CID 123880614
[(2R,4R,6R,8R)-4,6,8-trimethyldecan-2-yl] formate
CID 10988024
1,3-di(butan-2-yloxy)propan-2-ol
CID 22072723
1-hydroxypropan-2-yl formate
CID 22152793
2-[2-(2-butan-2-yloxyethoxy)ethoxy]ethyl formate
CID 139655550
1-pentoxypropan-2-yl formate
CID 54282831
3-butan-2-yloxy-N,N-diethyl-2-methylpropanamide
CID 89427274
2-(1-butan-2-yloxypropan-2-yloxy)propan-2-amine
CID 58427609
[(2S,3S)-2-chloropentan-3-yl] formate
CID 130737322
[(E)-hex-4-en-2-yl] formate
CID 14644553
1-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]propan-2-yl formate
CID 176704831

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yloxypropan-2-yl formate?
The IUPAC name of 1-butan-2-yloxypropan-2-yl formate (CID 139655513) is 1-butan-2-yloxypropan-2-yl formate.
What is the SMILES notation for 1-butan-2-yloxypropan-2-yl formate?
The canonical SMILES for 1-butan-2-yloxypropan-2-yl formate is CCC(C)OCC(C)OC=O.
What is the InChIKey of 1-butan-2-yloxypropan-2-yl formate?
The InChIKey is HJLZVBBCLNQVRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3/c1-4-7(2)10-5-8(3)11-6-9/h6-8H,4-5H2,1-3H3.
What are the key properties of 1-butan-2-yloxypropan-2-yl formate?
1-butan-2-yloxypropan-2-yl formate has a molecular weight of 160.21 g/mol, XLogP of 1.36, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yloxypropan-2-yl formate is sourced from PubChem (CID 139655513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).