3,3-bis(methoxymethyl)-6-oxabicyclo[3.1.0]hexane

C9H16O3 — CID 146049054

IUPAC3,3-bis(methoxymethyl)-6-oxabicyclo[3.1.0]hexane
SMILESCOCC1(COC)CC2OC2C1
InChIInChI=1S/C9H16O3/c1-10-5-9(6-11-2)3-7-8(4-9)12-7/h7-8H,3-6H2,1-2H3
InChIKeyVQMQUHNRQLAGPG-UHFFFAOYSA-N
MW172.22 g/mol
LogP0.83
Rot. Bonds4

About 3,3-bis(methoxymethyl)-6-oxabicyclo[3.1.0]hexane

3,3-bis(methoxymethyl)-6-oxabicyclo[3.1.0]hexane (PubChem CID 146049054) has the molecular formula C9H16O3 and a molecular weight of 172.22 g/mol. Its IUPAC name is 3,3-bis(methoxymethyl)-6-oxabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name3,3-bis(methoxymethyl)-6-oxabicyclo[3.1.0]hexane
PubChem CID146049054
Molecular FormulaC9H16O3
Molecular Weight172.22 g/mol
Exact Mass172.11
IUPAC Name3,3-bis(methoxymethyl)-6-oxabicyclo[3.1.0]hexane
SMILESCOCC1(COC)CC2OC2C1
InChIInChI=1S/C9H16O3/c1-10-5-9(6-11-2)3-7-8(4-9)12-7/h7-8H,3-6H2,1-2H3
InChIKeyVQMQUHNRQLAGPG-UHFFFAOYSA-N
XLogP0.83
TPSA30.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.22
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

3,3-bis[2-(2-ethoxyethoxy)ethoxymethyl]-6-oxabicyclo[3.1.0]hexane
CID 58835826
1,1-bis(methoxymethyl)-3-propylcyclobutane
CID 141062334
5,5-bis(methoxymethyl)-1,3,2-dioxathiane 2,2-dioxide
CID 153021979
2-[3-(methoxymethyl)oxetan-3-yl]ethanamine
CID 83904976
1,1-bis(methoxymethyl)-3,3-dimethylcyclobutane
CID 59006413
1-ethyl-1-(methoxymethyl)cyclopropane
CID 23568583
ethane;(2S,6R)-4-[[1-(methoxymethyl)cyclopropyl]methyl]-2,6-dimethylmorpholine
CID 177009766
(2R,4R)-4-ethyl-2-(iodomethyl)-4-(methoxymethyl)oxolane
CID 125425209
3-(methoxymethyl)-6-oxabicyclo[3.1.0]hexane
CID 22013148
dimethyl 6-oxabicyclo[3.1.0]hexane-3,3-dicarboxylate
CID 14970965
ethane;1-(methoxymethyl)-1-propylcyclopentane
CID 143806992
ethane;1-(2-methoxyethyl)-1-(methoxymethyl)cyclopentane
CID 143807089

Frequently Asked Questions

What is the IUPAC name of 3,3-bis(methoxymethyl)-6-oxabicyclo[3.1.0]hexane?
The IUPAC name of 3,3-bis(methoxymethyl)-6-oxabicyclo[3.1.0]hexane (CID 146049054) is 3,3-bis(methoxymethyl)-6-oxabicyclo[3.1.0]hexane.
What is the SMILES notation for 3,3-bis(methoxymethyl)-6-oxabicyclo[3.1.0]hexane?
The canonical SMILES for 3,3-bis(methoxymethyl)-6-oxabicyclo[3.1.0]hexane is COCC1(COC)CC2OC2C1.
What is the InChIKey of 3,3-bis(methoxymethyl)-6-oxabicyclo[3.1.0]hexane?
The InChIKey is VQMQUHNRQLAGPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O3/c1-10-5-9(6-11-2)3-7-8(4-9)12-7/h7-8H,3-6H2,1-2H3.
What are the key properties of 3,3-bis(methoxymethyl)-6-oxabicyclo[3.1.0]hexane?
3,3-bis(methoxymethyl)-6-oxabicyclo[3.1.0]hexane has a molecular weight of 172.22 g/mol, XLogP of 0.83, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-bis(methoxymethyl)-6-oxabicyclo[3.1.0]hexane is sourced from PubChem (CID 146049054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).