(1R,2S,4S,5S)-3,6-bis(prop-2-enoxy)cyclohexane-1,2,4,5-tetrol

C12H20O6 — CID 10869017

IUPAC(1R,2S,4S,5S)-3,6-bis(prop-2-enoxy)cyclohexane-1,2,4,5-tetrol
SMILESC=CCOC1[C@@H](O)[C@H](O)C(OCC=C)[C@H](O)[C@@H]1O
InChIInChI=1S/C12H20O6/c1-3-5-17-11-7(13)9(15)12(18-6-4-2)10(16)8(11)14/h3-4,7-16H,1-2,5-6H2/t7-,8-,9-,10+,11?,12?/m0/s1
InChIKeyWYNFBKAMHFSTHW-ZYOVFQDESA-N
MW260.29 g/mol
LogP-1.41
Rot. Bonds6

About (1R,2S,4S,5S)-3,6-bis(prop-2-enoxy)cyclohexane-1,2,4,5-tetrol

(1R,2S,4S,5S)-3,6-bis(prop-2-enoxy)cyclohexane-1,2,4,5-tetrol (PubChem CID 10869017) has the molecular formula C12H20O6 and a molecular weight of 260.29 g/mol. Its IUPAC name is (1R,2S,4S,5S)-3,6-bis(prop-2-enoxy)cyclohexane-1,2,4,5-tetrol.

Molecular Properties

Compound Name(1R,2S,4S,5S)-3,6-bis(prop-2-enoxy)cyclohexane-1,2,4,5-tetrol
PubChem CID10869017
Molecular FormulaC12H20O6
Molecular Weight260.29 g/mol
Exact Mass260.13
IUPAC Name(1R,2S,4S,5S)-3,6-bis(prop-2-enoxy)cyclohexane-1,2,4,5-tetrol
SMILESC=CCOC1[C@@H](O)[C@H](O)C(OCC=C)[C@H](O)[C@@H]1O
InChIInChI=1S/C12H20O6/c1-3-5-17-11-7(13)9(15)12(18-6-4-2)10(16)8(11)14/h3-4,7-16H,1-2,5-6H2/t7-,8-,9-,10+,11?,12?/m0/s1
InChIKeyWYNFBKAMHFSTHW-ZYOVFQDESA-N
XLogP-1.41
TPSA99.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 5-1.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3,4,5,6-tetrakis(prop-2-enoxy)cyclohexane-1,2-diol
CID 15666729
(1S,2S,3S,4S,5R,6R)-5,6-bis(prop-2-enoxy)cyclohexane-1,2,3,4-tetrol
CID 23248808
(2S,3R,4S,5R)-3-prop-2-enoxyoxane-2,4,5-triol
CID 67633696
(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3-prop-2-enoxyoxane-2,4,5-triol
CID 67036661
(3R,4S,5S,6R)-6-(hydroxymethyl)-3-prop-2-enoxyoxane-2,4,5-triol
CID 66647373
(2S,3R,4R,5S)-4,5-dihydroxy-3-prop-2-enoxyoxolane-2-carbaldehyde
CID 91133806
4,5,6-tributoxy-2-prop-2-enoxycyclohexane-1,3-diol
CID 68575200
(2R,3S,4S,5R)-2-(hydroxymethyl)-5,6-bis(prop-2-enoxy)oxane-3,4-diol
CID 67610821
(1R,2S,3S,4R,5R,6S)-3,4,5-tris(phenylmethoxy)-6-prop-2-enoxycyclohexane-1,2-diol
CID 11755326
(2R,3R,4R,5S,6S)-2-methoxy-6-methyl-4-prop-2-enoxyoxane-3,5-diol
CID 14824471
(1S,2R,3R,4S,5S,6S)-4,5-bis(phenylmethoxy)-3,6-bis(prop-2-enoxy)cyclohexane-1,2-diol
CID 7099090
4-prop-2-enoxycyclohexan-1-ol
CID 23031036

Frequently Asked Questions

What is the IUPAC name of (1R,2S,4S,5S)-3,6-bis(prop-2-enoxy)cyclohexane-1,2,4,5-tetrol?
The IUPAC name of (1R,2S,4S,5S)-3,6-bis(prop-2-enoxy)cyclohexane-1,2,4,5-tetrol (CID 10869017) is (1R,2S,4S,5S)-3,6-bis(prop-2-enoxy)cyclohexane-1,2,4,5-tetrol.
What is the SMILES notation for (1R,2S,4S,5S)-3,6-bis(prop-2-enoxy)cyclohexane-1,2,4,5-tetrol?
The canonical SMILES for (1R,2S,4S,5S)-3,6-bis(prop-2-enoxy)cyclohexane-1,2,4,5-tetrol is C=CCOC1[C@@H](O)[C@H](O)C(OCC=C)[C@H](O)[C@@H]1O.
What is the InChIKey of (1R,2S,4S,5S)-3,6-bis(prop-2-enoxy)cyclohexane-1,2,4,5-tetrol?
The InChIKey is WYNFBKAMHFSTHW-ZYOVFQDESA-N. The full InChI is InChI=1S/C12H20O6/c1-3-5-17-11-7(13)9(15)12(18-6-4-2)10(16)8(11)14/h3-4,7-16H,1-2,5-6H2/t7-,8-,9-,10+,11?,12?/m0/s1.
What are the key properties of (1R,2S,4S,5S)-3,6-bis(prop-2-enoxy)cyclohexane-1,2,4,5-tetrol?
(1R,2S,4S,5S)-3,6-bis(prop-2-enoxy)cyclohexane-1,2,4,5-tetrol has a molecular weight of 260.29 g/mol, XLogP of -1.41, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,4S,5S)-3,6-bis(prop-2-enoxy)cyclohexane-1,2,4,5-tetrol is sourced from PubChem (CID 10869017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).