3,4,5,6-tetrakis(prop-2-enoxy)cyclohexane-1,2-diol

C18H28O6 — CID 15666729

IUPAC3,4,5,6-tetrakis(prop-2-enoxy)cyclohexane-1,2-diol
SMILESC=CCOC1C(O)C(O)C(OCC=C)C(OCC=C)C1OCC=C
InChIInChI=1S/C18H28O6/c1-5-9-21-15-13(19)14(20)16(22-10-6-2)18(24-12-8-4)17(15)23-11-7-3/h5-8,13-20H,1-4,9-12H2
InChIKeyCOHMXZMSKHAYTO-UHFFFAOYSA-N
MW340.42 g/mol
LogP1.01
Rot. Bonds12

About 3,4,5,6-tetrakis(prop-2-enoxy)cyclohexane-1,2-diol

3,4,5,6-tetrakis(prop-2-enoxy)cyclohexane-1,2-diol (PubChem CID 15666729) has the molecular formula C18H28O6 and a molecular weight of 340.42 g/mol. Its IUPAC name is 3,4,5,6-tetrakis(prop-2-enoxy)cyclohexane-1,2-diol.

Molecular Properties

Compound Name3,4,5,6-tetrakis(prop-2-enoxy)cyclohexane-1,2-diol
PubChem CID15666729
Molecular FormulaC18H28O6
Molecular Weight340.42 g/mol
Exact Mass340.19
IUPAC Name3,4,5,6-tetrakis(prop-2-enoxy)cyclohexane-1,2-diol
SMILESC=CCOC1C(O)C(O)C(OCC=C)C(OCC=C)C1OCC=C
InChIInChI=1S/C18H28O6/c1-5-9-21-15-13(19)14(20)16(22-10-6-2)18(24-12-8-4)17(15)23-11-7-3/h5-8,13-20H,1-4,9-12H2
InChIKeyCOHMXZMSKHAYTO-UHFFFAOYSA-N
XLogP1.01
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(1S,2S,3S,4S,5R,6R)-5-methoxy-6-prop-2-enoxycyclohexane-1,2,3,4-tetrol
CID 11470333
(2R,3R,4R,5R)-3,4-bis(prop-2-enoxy)hexane-1,2,5,6-tetrol
CID 12660648
(2R,3R,4R,5S)-3,4,5,6-tetrakis(prop-2-enoxy)hexane-1,2-diol
CID 20746280
(1R,3S,4S,6S)-2,4,5,6-tetrakis(prop-2-enoxy)cyclohexane-1,3-diol
CID 91353654
(1R,3S,4R,6S)-4,6-bis(prop-2-enoxy)cyclohexane-1,2,3,5-tetrol
CID 139183359
Tetra-O-allylglucitol
CID 122529
5,6-Bis(prop-2-enoxy)cyclohexane-1,2,3,4-tetrol
CID 13962614
6-Prop-2-enoxycyclohexane-1,2,3,4,5-pentol
CID 14757244
(1R,2S,4R,5R)-6-prop-2-enoxycyclohexane-1,2,3,4,5-pentol
CID 14757245
(2R,3S,4S,5R)-1,2,5,6-tetrakis(prop-2-enoxy)hexane-3,4-diol
CID 15038222
2,4,6-Tris(prop-2-enoxy)cyclohexane-1,3,5-triol
CID 15704847
(2R,3R,4S,5S)-4,5-dimethoxy-2-(prop-2-enoxymethyl)oxan-3-ol
CID 16742817

Frequently Asked Questions

What is the IUPAC name of 3,4,5,6-tetrakis(prop-2-enoxy)cyclohexane-1,2-diol?
The IUPAC name of 3,4,5,6-tetrakis(prop-2-enoxy)cyclohexane-1,2-diol (CID 15666729) is 3,4,5,6-tetrakis(prop-2-enoxy)cyclohexane-1,2-diol.
What is the SMILES notation for 3,4,5,6-tetrakis(prop-2-enoxy)cyclohexane-1,2-diol?
The canonical SMILES for 3,4,5,6-tetrakis(prop-2-enoxy)cyclohexane-1,2-diol is C=CCOC1C(O)C(O)C(OCC=C)C(OCC=C)C1OCC=C.
What is the InChIKey of 3,4,5,6-tetrakis(prop-2-enoxy)cyclohexane-1,2-diol?
The InChIKey is COHMXZMSKHAYTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O6/c1-5-9-21-15-13(19)14(20)16(22-10-6-2)18(24-12-8-4)17(15)23-11-7-3/h5-8,13-20H,1-4,9-12H2.
What are the key properties of 3,4,5,6-tetrakis(prop-2-enoxy)cyclohexane-1,2-diol?
3,4,5,6-tetrakis(prop-2-enoxy)cyclohexane-1,2-diol has a molecular weight of 340.42 g/mol, XLogP of 1.01, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5,6-tetrakis(prop-2-enoxy)cyclohexane-1,2-diol is sourced from PubChem (CID 15666729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).