(5R)-5,9-dibromopentacyclo[5.3.0.02,5.03,9.04,8]decane-6,6,10,10-tetrol

C10H10Br2O4 — CID 162402142

IUPAC(5R)-5,9-dibromopentacyclo[5.3.0.02,5.03,9.04,8]decane-6,6,10,10-tetrol
SMILESOC1(O)C2C3C4C5C(C2C5(Br)C3(O)O)C41Br
InChIInChI=1S/C10H10Br2O4/c11-7-1-2-4(7)6-5(9(7,13)14)3(1)8(2,12)10(6,15)16/h1-6,13-16H
InChIKeyGHOJUFZBTMKGEB-UHFFFAOYSA-N
MW353.99 g/mol
LogP-0.62
Rot. Bonds

About (5R)-5,9-dibromopentacyclo[5.3.0.02,5.03,9.04,8]decane-6,6,10,10-tetrol

(5R)-5,9-dibromopentacyclo[5.3.0.02,5.03,9.04,8]decane-6,6,10,10-tetrol (PubChem CID 162402142) has the molecular formula C10H10Br2O4 and a molecular weight of 353.99 g/mol. Its IUPAC name is (5R)-5,9-dibromopentacyclo[5.3.0.02,5.03,9.04,8]decane-6,6,10,10-tetrol.

Molecular Properties

Compound Name(5R)-5,9-dibromopentacyclo[5.3.0.02,5.03,9.04,8]decane-6,6,10,10-tetrol
PubChem CID162402142
Molecular FormulaC10H10Br2O4
Molecular Weight353.99 g/mol
Exact Mass351.89
IUPAC Name(5R)-5,9-dibromopentacyclo[5.3.0.02,5.03,9.04,8]decane-6,6,10,10-tetrol
SMILESOC1(O)C2C3C4C5C(C2C5(Br)C3(O)O)C41Br
InChIInChI=1S/C10H10Br2O4/c11-7-1-2-4(7)6-5(9(7,13)14)3(1)8(2,12)10(6,15)16/h1-6,13-16H
InChIKeyGHOJUFZBTMKGEB-UHFFFAOYSA-N
XLogP-0.62
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.99
LogP ≤ 5-0.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5R)-5,9-dibromopentacyclo[5.3.0.02,5.03,9.04,8]decane-6,6,10,10-tetrol?
The IUPAC name of (5R)-5,9-dibromopentacyclo[5.3.0.02,5.03,9.04,8]decane-6,6,10,10-tetrol (CID 162402142) is (5R)-5,9-dibromopentacyclo[5.3.0.02,5.03,9.04,8]decane-6,6,10,10-tetrol.
What is the SMILES notation for (5R)-5,9-dibromopentacyclo[5.3.0.02,5.03,9.04,8]decane-6,6,10,10-tetrol?
The canonical SMILES for (5R)-5,9-dibromopentacyclo[5.3.0.02,5.03,9.04,8]decane-6,6,10,10-tetrol is OC1(O)C2C3C4C5C(C2C5(Br)C3(O)O)C41Br.
What is the InChIKey of (5R)-5,9-dibromopentacyclo[5.3.0.02,5.03,9.04,8]decane-6,6,10,10-tetrol?
The InChIKey is GHOJUFZBTMKGEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Br2O4/c11-7-1-2-4(7)6-5(9(7,13)14)3(1)8(2,12)10(6,15)16/h1-6,13-16H.
What are the key properties of (5R)-5,9-dibromopentacyclo[5.3.0.02,5.03,9.04,8]decane-6,6,10,10-tetrol?
(5R)-5,9-dibromopentacyclo[5.3.0.02,5.03,9.04,8]decane-6,6,10,10-tetrol has a molecular weight of 353.99 g/mol, XLogP of -0.62, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5,9-dibromopentacyclo[5.3.0.02,5.03,9.04,8]decane-6,6,10,10-tetrol is sourced from PubChem (CID 162402142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).