2-(butan-2-yloxymethoxy)prop-2-en-1-ol

C8H16O3 — CID 23524656

IUPAC2-(butan-2-yloxymethoxy)prop-2-en-1-ol
SMILESC=C(CO)OCOC(C)CC
InChIInChI=1S/C8H16O3/c1-4-7(2)10-6-11-8(3)5-9/h7,9H,3-6H2,1-2H3
InChIKeyOLCFBVPIIAVWNO-UHFFFAOYSA-N
MW160.21 g/mol
LogP1.28
Rot. Bonds6

About 2-(butan-2-yloxymethoxy)prop-2-en-1-ol

2-(butan-2-yloxymethoxy)prop-2-en-1-ol (PubChem CID 23524656) has the molecular formula C8H16O3 and a molecular weight of 160.21 g/mol. Its IUPAC name is 2-(butan-2-yloxymethoxy)prop-2-en-1-ol.

Molecular Properties

Compound Name2-(butan-2-yloxymethoxy)prop-2-en-1-ol
PubChem CID23524656
Molecular FormulaC8H16O3
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Name2-(butan-2-yloxymethoxy)prop-2-en-1-ol
SMILESC=C(CO)OCOC(C)CC
InChIInChI=1S/C8H16O3/c1-4-7(2)10-6-11-8(3)5-9/h7,9H,3-6H2,1-2H3
InChIKeyOLCFBVPIIAVWNO-UHFFFAOYSA-N
XLogP1.28
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.21
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(Methoxymethoxy)prop-2-en-1-ol
CID 10678218
2-(Prop-1-en-2-yloxymethoxy)ethanol
CID 21053381
2-[(1-Methylcyclopropyl)oxymethoxy]prop-2-en-1-ol
CID 22894262
1-Propa-1,2-dienoxy-3-(3-propa-1,2-dienoxypropoxymethoxy)propan-2-ol
CID 54034089
(2-Methoxy-1,3-dioxol-4-yl)methanol
CID 140972175
1-(1,3-Dioxol-4-yl)ethanol
CID 153728443
2-(Butan-2-yloxymethoxy)prop-2-en-1-ol;methane
CID 161792941
(2-Ethoxy-1,3-dioxol-4-yl)methanol
CID 166068732
2-[[(4R)-2,2,5-trimethyl-1,3-dioxolan-4-yl]oxy]prop-2-en-1-ol
CID 173906740
2-(Hydroxymethoxymethoxy)prop-2-en-1-ol
CID 175138367
2-(1-Butoxyethoxy)prop-2-en-1-ol
CID 10583374

Frequently Asked Questions

What is the IUPAC name of 2-(butan-2-yloxymethoxy)prop-2-en-1-ol?
The IUPAC name of 2-(butan-2-yloxymethoxy)prop-2-en-1-ol (CID 23524656) is 2-(butan-2-yloxymethoxy)prop-2-en-1-ol.
What is the SMILES notation for 2-(butan-2-yloxymethoxy)prop-2-en-1-ol?
The canonical SMILES for 2-(butan-2-yloxymethoxy)prop-2-en-1-ol is C=C(CO)OCOC(C)CC.
What is the InChIKey of 2-(butan-2-yloxymethoxy)prop-2-en-1-ol?
The InChIKey is OLCFBVPIIAVWNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3/c1-4-7(2)10-6-11-8(3)5-9/h7,9H,3-6H2,1-2H3.
What are the key properties of 2-(butan-2-yloxymethoxy)prop-2-en-1-ol?
2-(butan-2-yloxymethoxy)prop-2-en-1-ol has a molecular weight of 160.21 g/mol, XLogP of 1.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butan-2-yloxymethoxy)prop-2-en-1-ol is sourced from PubChem (CID 23524656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).