(3aR)-6-bromo-3-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan

C7H11BrO2 — CID 90097242

IUPAC(3aR)-6-bromo-3-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
SMILESCC1COC2C(Br)CO[C@H]12
InChIInChI=1S/C7H11BrO2/c1-4-2-9-7-5(8)3-10-6(4)7/h4-7H,2-3H2,1H3/t4?,5?,6-,7?/m1/s1
InChIKeyWBLGQLRFJPEGBA-XPLVVLGFSA-N
MW207.07 g/mol
LogP1.18
Rot. Bonds

About (3aR)-6-bromo-3-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan

(3aR)-6-bromo-3-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan (PubChem CID 90097242) has the molecular formula C7H11BrO2 and a molecular weight of 207.07 g/mol. Its IUPAC name is (3aR)-6-bromo-3-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan.

Molecular Properties

Compound Name(3aR)-6-bromo-3-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
PubChem CID90097242
Molecular FormulaC7H11BrO2
Molecular Weight207.07 g/mol
Exact Mass205.99
IUPAC Name(3aR)-6-bromo-3-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
SMILESCC1COC2C(Br)CO[C@H]12
InChIInChI=1S/C7H11BrO2/c1-4-2-9-7-5(8)3-10-6(4)7/h4-7H,2-3H2,1H3/t4?,5?,6-,7?/m1/s1
InChIKeyWBLGQLRFJPEGBA-XPLVVLGFSA-N
XLogP1.18
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.07
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3aR)-6-bromo-3-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan with MolForge

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Related Compounds

(3R,3aR,6S,6aS)-6-bromo-3-(difluoromethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 58208613
(3aR,6S,6aS)-6-bromo-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 58101934
(3aR,6aR)-6-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 58158811
(3S,3aS,6R,6aR)-3-bromo-6-methylhexahydrofuro[3,2-b]furan
CID 58208585
6-Methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 58526753
(3aR,6R,6aR)-6-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 68395997
(3aR,6S,6aS)-6-bromo-3-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 70244642
6-Bromo-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 76605295
(6R)-6-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 88972293
(3aR,6R)-6-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 89112690
(6S)-6-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 89332993
(3aS,6S,6aS)-6-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 89827551

Frequently Asked Questions

What is the IUPAC name of (3aR)-6-bromo-3-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan?
The IUPAC name of (3aR)-6-bromo-3-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan (CID 90097242) is (3aR)-6-bromo-3-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan.
What is the SMILES notation for (3aR)-6-bromo-3-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan?
The canonical SMILES for (3aR)-6-bromo-3-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan is CC1COC2C(Br)CO[C@H]12.
What is the InChIKey of (3aR)-6-bromo-3-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan?
The InChIKey is WBLGQLRFJPEGBA-XPLVVLGFSA-N. The full InChI is InChI=1S/C7H11BrO2/c1-4-2-9-7-5(8)3-10-6(4)7/h4-7H,2-3H2,1H3/t4?,5?,6-,7?/m1/s1.
What are the key properties of (3aR)-6-bromo-3-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan?
(3aR)-6-bromo-3-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan has a molecular weight of 207.07 g/mol, XLogP of 1.18, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR)-6-bromo-3-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan is sourced from PubChem (CID 90097242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).