(3R,4R,5S,6R)-cyclohexene-1,2,3,4,5,6-hexol

C6H10O6 — CID 123133735

IUPAC(3R,4R,5S,6R)-cyclohexene-1,2,3,4,5,6-hexol
SMILESOC1=C(O)[C@H](O)[C@@H](O)[C@@H](O)[C@H]1O
InChIInChI=1S/C6H10O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-4,7-12H/t1-,2+,3-,4-/m1/s1
InChIKeyDMDAGHRAXPBBEL-GJPGBQJBSA-N
MW178.14 g/mol
LogP-2.23
Rot. Bonds

About (3R,4R,5S,6R)-cyclohexene-1,2,3,4,5,6-hexol

(3R,4R,5S,6R)-cyclohexene-1,2,3,4,5,6-hexol (PubChem CID 123133735) has the molecular formula C6H10O6 and a molecular weight of 178.14 g/mol. Its IUPAC name is (3R,4R,5S,6R)-cyclohexene-1,2,3,4,5,6-hexol.

Molecular Properties

Compound Name(3R,4R,5S,6R)-cyclohexene-1,2,3,4,5,6-hexol
PubChem CID123133735
Molecular FormulaC6H10O6
Molecular Weight178.14 g/mol
Exact Mass178.05
IUPAC Name(3R,4R,5S,6R)-cyclohexene-1,2,3,4,5,6-hexol
SMILESOC1=C(O)[C@H](O)[C@@H](O)[C@@H](O)[C@H]1O
InChIInChI=1S/C6H10O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-4,7-12H/t1-,2+,3-,4-/m1/s1
InChIKeyDMDAGHRAXPBBEL-GJPGBQJBSA-N
XLogP-2.23
TPSA121.38 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500178.14
LogP ≤ 5-2.23
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3R,4R,5S,6R)-cyclohexene-1,2,3,4,5,6-hexol?
The IUPAC name of (3R,4R,5S,6R)-cyclohexene-1,2,3,4,5,6-hexol (CID 123133735) is (3R,4R,5S,6R)-cyclohexene-1,2,3,4,5,6-hexol.
What is the SMILES notation for (3R,4R,5S,6R)-cyclohexene-1,2,3,4,5,6-hexol?
The canonical SMILES for (3R,4R,5S,6R)-cyclohexene-1,2,3,4,5,6-hexol is OC1=C(O)[C@H](O)[C@@H](O)[C@@H](O)[C@H]1O.
What is the InChIKey of (3R,4R,5S,6R)-cyclohexene-1,2,3,4,5,6-hexol?
The InChIKey is DMDAGHRAXPBBEL-GJPGBQJBSA-N. The full InChI is InChI=1S/C6H10O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-4,7-12H/t1-,2+,3-,4-/m1/s1.
What are the key properties of (3R,4R,5S,6R)-cyclohexene-1,2,3,4,5,6-hexol?
(3R,4R,5S,6R)-cyclohexene-1,2,3,4,5,6-hexol has a molecular weight of 178.14 g/mol, XLogP of -2.23, 0 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R,5S,6R)-cyclohexene-1,2,3,4,5,6-hexol is sourced from PubChem (CID 123133735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).