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

C18H28O6 — CID 91353654

IUPAC(1R,3S,4S,6S)-2,4,5,6-tetrakis(prop-2-enoxy)cyclohexane-1,3-diol
SMILESC=CCOC1[C@@H](OCC=C)[C@H](O)C(OCC=C)[C@H](O)[C@@H]1OCC=C
InChIInChI=1S/C18H28O6/c1-5-9-21-15-13(19)16(22-10-6-2)18(24-12-8-4)17(14(15)20)23-11-7-3/h5-8,13-20H,1-4,9-12H2/t13-,14+,15?,16-,17-,18?/m0/s1
InChIKeyLMHPGXCVTLJEFD-ZKUYNTJRSA-N
MW340.42 g/mol
LogP1.01
Rot. Bonds12

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

(1R,3S,4S,6S)-2,4,5,6-tetrakis(prop-2-enoxy)cyclohexane-1,3-diol (PubChem CID 91353654) has the molecular formula C18H28O6 and a molecular weight of 340.42 g/mol. Its IUPAC name is (1R,3S,4S,6S)-2,4,5,6-tetrakis(prop-2-enoxy)cyclohexane-1,3-diol.

Molecular Properties

Compound Name(1R,3S,4S,6S)-2,4,5,6-tetrakis(prop-2-enoxy)cyclohexane-1,3-diol
PubChem CID91353654
Molecular FormulaC18H28O6
Molecular Weight340.42 g/mol
Exact Mass340.19
IUPAC Name(1R,3S,4S,6S)-2,4,5,6-tetrakis(prop-2-enoxy)cyclohexane-1,3-diol
SMILESC=CCOC1[C@@H](OCC=C)[C@H](O)C(OCC=C)[C@H](O)[C@@H]1OCC=C
InChIInChI=1S/C18H28O6/c1-5-9-21-15-13(19)16(22-10-6-2)18(24-12-8-4)17(14(15)20)23-11-7-3/h5-8,13-20H,1-4,9-12H2/t13-,14+,15?,16-,17-,18?/m0/s1
InChIKeyLMHPGXCVTLJEFD-ZKUYNTJRSA-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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Frequently Asked Questions

What is the IUPAC name of (1R,3S,4S,6S)-2,4,5,6-tetrakis(prop-2-enoxy)cyclohexane-1,3-diol?
The IUPAC name of (1R,3S,4S,6S)-2,4,5,6-tetrakis(prop-2-enoxy)cyclohexane-1,3-diol (CID 91353654) is (1R,3S,4S,6S)-2,4,5,6-tetrakis(prop-2-enoxy)cyclohexane-1,3-diol.
What is the SMILES notation for (1R,3S,4S,6S)-2,4,5,6-tetrakis(prop-2-enoxy)cyclohexane-1,3-diol?
The canonical SMILES for (1R,3S,4S,6S)-2,4,5,6-tetrakis(prop-2-enoxy)cyclohexane-1,3-diol is C=CCOC1[C@@H](OCC=C)[C@H](O)C(OCC=C)[C@H](O)[C@@H]1OCC=C.
What is the InChIKey of (1R,3S,4S,6S)-2,4,5,6-tetrakis(prop-2-enoxy)cyclohexane-1,3-diol?
The InChIKey is LMHPGXCVTLJEFD-ZKUYNTJRSA-N. The full InChI is InChI=1S/C18H28O6/c1-5-9-21-15-13(19)16(22-10-6-2)18(24-12-8-4)17(14(15)20)23-11-7-3/h5-8,13-20H,1-4,9-12H2/t13-,14+,15?,16-,17-,18?/m0/s1.
What are the key properties of (1R,3S,4S,6S)-2,4,5,6-tetrakis(prop-2-enoxy)cyclohexane-1,3-diol?
(1R,3S,4S,6S)-2,4,5,6-tetrakis(prop-2-enoxy)cyclohexane-1,3-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 (1R,3S,4S,6S)-2,4,5,6-tetrakis(prop-2-enoxy)cyclohexane-1,3-diol is sourced from PubChem (CID 91353654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).