(1R,2S,4R,5R)-6-prop-2-enoxycyclohexane-1,2,3,4,5-pentol

C9H16O6 — CID 14757245

IUPAC(1R,2S,4R,5R)-6-prop-2-enoxycyclohexane-1,2,3,4,5-pentol
SMILESC=CCOC1[C@H](O)[C@H](O)C(O)[C@H](O)[C@H]1O
InChIInChI=1S/C9H16O6/c1-2-3-15-9-7(13)5(11)4(10)6(12)8(9)14/h2,4-14H,1,3H2/t4?,5-,6+,7-,8-,9?/m1/s1
InChIKeyAQFRGAYCRPBQKM-ABVQOWBASA-N
MW220.22 g/mol
LogP-2.62
Rot. Bonds3

About (1R,2S,4R,5R)-6-prop-2-enoxycyclohexane-1,2,3,4,5-pentol

(1R,2S,4R,5R)-6-prop-2-enoxycyclohexane-1,2,3,4,5-pentol (PubChem CID 14757245) has the molecular formula C9H16O6 and a molecular weight of 220.22 g/mol. Its IUPAC name is (1R,2S,4R,5R)-6-prop-2-enoxycyclohexane-1,2,3,4,5-pentol.

Molecular Properties

Compound Name(1R,2S,4R,5R)-6-prop-2-enoxycyclohexane-1,2,3,4,5-pentol
PubChem CID14757245
Molecular FormulaC9H16O6
Molecular Weight220.22 g/mol
Exact Mass220.09
IUPAC Name(1R,2S,4R,5R)-6-prop-2-enoxycyclohexane-1,2,3,4,5-pentol
SMILESC=CCOC1[C@H](O)[C@H](O)C(O)[C@H](O)[C@H]1O
InChIInChI=1S/C9H16O6/c1-2-3-15-9-7(13)5(11)4(10)6(12)8(9)14/h2,4-14H,1,3H2/t4?,5-,6+,7-,8-,9?/m1/s1
InChIKeyAQFRGAYCRPBQKM-ABVQOWBASA-N
XLogP-2.62
TPSA110.38 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.22
LogP ≤ 5-2.62
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (1R,2S,4R,5R)-6-prop-2-enoxycyclohexane-1,2,3,4,5-pentol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1R,2S,4R,5R)-6-prop-2-enoxycyclohexane-1,2,3,4,5-pentol?
The IUPAC name of (1R,2S,4R,5R)-6-prop-2-enoxycyclohexane-1,2,3,4,5-pentol (CID 14757245) is (1R,2S,4R,5R)-6-prop-2-enoxycyclohexane-1,2,3,4,5-pentol.
What is the SMILES notation for (1R,2S,4R,5R)-6-prop-2-enoxycyclohexane-1,2,3,4,5-pentol?
The canonical SMILES for (1R,2S,4R,5R)-6-prop-2-enoxycyclohexane-1,2,3,4,5-pentol is C=CCOC1[C@H](O)[C@H](O)C(O)[C@H](O)[C@H]1O.
What is the InChIKey of (1R,2S,4R,5R)-6-prop-2-enoxycyclohexane-1,2,3,4,5-pentol?
The InChIKey is AQFRGAYCRPBQKM-ABVQOWBASA-N. The full InChI is InChI=1S/C9H16O6/c1-2-3-15-9-7(13)5(11)4(10)6(12)8(9)14/h2,4-14H,1,3H2/t4?,5-,6+,7-,8-,9?/m1/s1.
What are the key properties of (1R,2S,4R,5R)-6-prop-2-enoxycyclohexane-1,2,3,4,5-pentol?
(1R,2S,4R,5R)-6-prop-2-enoxycyclohexane-1,2,3,4,5-pentol has a molecular weight of 220.22 g/mol, XLogP of -2.62, 3 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,4R,5R)-6-prop-2-enoxycyclohexane-1,2,3,4,5-pentol is sourced from PubChem (CID 14757245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).