3-(chloromethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol

C7H11ClO3 — CID 123503753

IUPAC3-(chloromethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol
SMILESOC1COC2C(CCl)COC12
InChIInChI=1S/C7H11ClO3/c8-1-4-2-10-7-5(9)3-11-6(4)7/h4-7,9H,1-3H2
InChIKeyWYUWZYPKQPNMDS-UHFFFAOYSA-N
MW178.61 g/mol
LogP-0.00
Rot. Bonds1

About 3-(chloromethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol

3-(chloromethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol (PubChem CID 123503753) has the molecular formula C7H11ClO3 and a molecular weight of 178.61 g/mol. Its IUPAC name is 3-(chloromethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol.

Molecular Properties

Compound Name3-(chloromethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol
PubChem CID123503753
Molecular FormulaC7H11ClO3
Molecular Weight178.61 g/mol
Exact Mass178.04
IUPAC Name3-(chloromethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol
SMILESOC1COC2C(CCl)COC12
InChIInChI=1S/C7H11ClO3/c8-1-4-2-10-7-5(9)3-11-6(4)7/h4-7,9H,1-3H2
InChIKeyWYUWZYPKQPNMDS-UHFFFAOYSA-N
XLogP-0.00
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.61
LogP ≤ 5-0.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol?
The IUPAC name of 3-(chloromethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol (CID 123503753) is 3-(chloromethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol.
What is the SMILES notation for 3-(chloromethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol?
The canonical SMILES for 3-(chloromethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol is OC1COC2C(CCl)COC12.
What is the InChIKey of 3-(chloromethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol?
The InChIKey is WYUWZYPKQPNMDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11ClO3/c8-1-4-2-10-7-5(9)3-11-6(4)7/h4-7,9H,1-3H2.
What are the key properties of 3-(chloromethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol?
3-(chloromethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol has a molecular weight of 178.61 g/mol, XLogP of -0.00, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol is sourced from PubChem (CID 123503753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).