(4R)-3,7-dimethoxy-4-methyl-2,4,4a,6,7,7a-hexahydrofuro[3,2-d][1,3]iodoxine

C9H17IO4 — CID 163754467

IUPAC(4R)-3,7-dimethoxy-4-methyl-2,4,4a,6,7,7a-hexahydrofuro[3,2-d][1,3]iodoxine
SMILESCOC1COC2C1OCI(OC)[C@@H]2C
InChIInChI=1S/C9H17IO4/c1-6-8-9(7(11-2)4-13-8)14-5-10(6)12-3/h6-9H,4-5H2,1-3H3/t6-,7?,8?,9?/m1/s1
InChIKeyLSVIZIPIXWQRCY-LJSVPSOQSA-N
MW316.14 g/mol
LogP1.21
Rot. Bonds2

About (4R)-3,7-dimethoxy-4-methyl-2,4,4a,6,7,7a-hexahydrofuro[3,2-d][1,3]iodoxine

(4R)-3,7-dimethoxy-4-methyl-2,4,4a,6,7,7a-hexahydrofuro[3,2-d][1,3]iodoxine (PubChem CID 163754467) has the molecular formula C9H17IO4 and a molecular weight of 316.14 g/mol. Its IUPAC name is (4R)-3,7-dimethoxy-4-methyl-2,4,4a,6,7,7a-hexahydrofuro[3,2-d][1,3]iodoxine.

Molecular Properties

Compound Name(4R)-3,7-dimethoxy-4-methyl-2,4,4a,6,7,7a-hexahydrofuro[3,2-d][1,3]iodoxine
PubChem CID163754467
Molecular FormulaC9H17IO4
Molecular Weight316.14 g/mol
Exact Mass316.02
IUPAC Name(4R)-3,7-dimethoxy-4-methyl-2,4,4a,6,7,7a-hexahydrofuro[3,2-d][1,3]iodoxine
SMILESCOC1COC2C1OCI(OC)[C@@H]2C
InChIInChI=1S/C9H17IO4/c1-6-8-9(7(11-2)4-13-8)14-5-10(6)12-3/h6-9H,4-5H2,1-3H3/t6-,7?,8?,9?/m1/s1
InChIKeyLSVIZIPIXWQRCY-LJSVPSOQSA-N
XLogP1.21
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.14
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4R)-3,7-dimethoxy-4-methyl-2,4,4a,6,7,7a-hexahydrofuro[3,2-d][1,3]iodoxine?
The IUPAC name of (4R)-3,7-dimethoxy-4-methyl-2,4,4a,6,7,7a-hexahydrofuro[3,2-d][1,3]iodoxine (CID 163754467) is (4R)-3,7-dimethoxy-4-methyl-2,4,4a,6,7,7a-hexahydrofuro[3,2-d][1,3]iodoxine.
What is the SMILES notation for (4R)-3,7-dimethoxy-4-methyl-2,4,4a,6,7,7a-hexahydrofuro[3,2-d][1,3]iodoxine?
The canonical SMILES for (4R)-3,7-dimethoxy-4-methyl-2,4,4a,6,7,7a-hexahydrofuro[3,2-d][1,3]iodoxine is COC1COC2C1OCI(OC)[C@@H]2C.
What is the InChIKey of (4R)-3,7-dimethoxy-4-methyl-2,4,4a,6,7,7a-hexahydrofuro[3,2-d][1,3]iodoxine?
The InChIKey is LSVIZIPIXWQRCY-LJSVPSOQSA-N. The full InChI is InChI=1S/C9H17IO4/c1-6-8-9(7(11-2)4-13-8)14-5-10(6)12-3/h6-9H,4-5H2,1-3H3/t6-,7?,8?,9?/m1/s1.
What are the key properties of (4R)-3,7-dimethoxy-4-methyl-2,4,4a,6,7,7a-hexahydrofuro[3,2-d][1,3]iodoxine?
(4R)-3,7-dimethoxy-4-methyl-2,4,4a,6,7,7a-hexahydrofuro[3,2-d][1,3]iodoxine has a molecular weight of 316.14 g/mol, XLogP of 1.21, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3,7-dimethoxy-4-methyl-2,4,4a,6,7,7a-hexahydrofuro[3,2-d][1,3]iodoxine is sourced from PubChem (CID 163754467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).