1,3-bis(prop-1-en-2-yloxymethoxy)propan-2-yl formate

C12H20O6 — CID 21053380

IUPAC1,3-bis(prop-1-en-2-yloxymethoxy)propan-2-yl formate
SMILESC=C(C)OCOCC(COCOC(=C)C)OC=O
InChIInChI=1S/C12H20O6/c1-10(2)17-8-14-5-12(16-7-13)6-15-9-18-11(3)4/h7,12H,1,3,5-6,8-9H2,2,4H3
InChIKeyBRVZLXUWPANHHD-UHFFFAOYSA-N
MW260.29 g/mol
LogP1.58
Rot. Bonds12

About 1,3-bis(prop-1-en-2-yloxymethoxy)propan-2-yl formate

1,3-bis(prop-1-en-2-yloxymethoxy)propan-2-yl formate (PubChem CID 21053380) has the molecular formula C12H20O6 and a molecular weight of 260.29 g/mol. Its IUPAC name is 1,3-bis(prop-1-en-2-yloxymethoxy)propan-2-yl formate.

Molecular Properties

Compound Name1,3-bis(prop-1-en-2-yloxymethoxy)propan-2-yl formate
PubChem CID21053380
Molecular FormulaC12H20O6
Molecular Weight260.29 g/mol
Exact Mass260.13
IUPAC Name1,3-bis(prop-1-en-2-yloxymethoxy)propan-2-yl formate
SMILESC=C(C)OCOCC(COCOC(=C)C)OC=O
InChIInChI=1S/C12H20O6/c1-10(2)17-8-14-5-12(16-7-13)6-15-9-18-11(3)4/h7,12H,1,3,5-6,8-9H2,2,4H3
InChIKeyBRVZLXUWPANHHD-UHFFFAOYSA-N
XLogP1.58
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1,3-bis(prop-1-en-2-yloxymethoxy)propan-2-yl formate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(Methoxymethoxy)prop-2-enyl propan-2-yl carbonate
CID 15120453
2-[2-(Prop-1-en-2-yloxymethoxy)ethoxy]ethyl formate
CID 21053366
4-Methyl-1,3-dioxolan-2-one;2-prop-1-en-2-yloxyprop-1-ene
CID 66593448

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(prop-1-en-2-yloxymethoxy)propan-2-yl formate?
The IUPAC name of 1,3-bis(prop-1-en-2-yloxymethoxy)propan-2-yl formate (CID 21053380) is 1,3-bis(prop-1-en-2-yloxymethoxy)propan-2-yl formate.
What is the SMILES notation for 1,3-bis(prop-1-en-2-yloxymethoxy)propan-2-yl formate?
The canonical SMILES for 1,3-bis(prop-1-en-2-yloxymethoxy)propan-2-yl formate is C=C(C)OCOCC(COCOC(=C)C)OC=O.
What is the InChIKey of 1,3-bis(prop-1-en-2-yloxymethoxy)propan-2-yl formate?
The InChIKey is BRVZLXUWPANHHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O6/c1-10(2)17-8-14-5-12(16-7-13)6-15-9-18-11(3)4/h7,12H,1,3,5-6,8-9H2,2,4H3.
What are the key properties of 1,3-bis(prop-1-en-2-yloxymethoxy)propan-2-yl formate?
1,3-bis(prop-1-en-2-yloxymethoxy)propan-2-yl formate has a molecular weight of 260.29 g/mol, XLogP of 1.58, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(prop-1-en-2-yloxymethoxy)propan-2-yl formate is sourced from PubChem (CID 21053380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).