1,2:3,4-Di-O-cyclohexylidene-myo-inositol

C18H28O6 — CID 10291014

IUPAC—
SMILESO[C@H]1[C@H](O)[C@H]2OC3(CCCCC3)O[C@H]2[C@H]2OC3(CCCCC3)O[C@H]12
InChIInChI=1S/C18H28O6/c19-11-12(20)14-16(24-18(22-14)9-5-2-6-10-18)15-13(11)21-17(23-15)7-3-1-4-8-17/h11-16,19-20H,1-10H2/t11-,12-,13+,14+,15-,16+/m0/s1
InChIKeyPHAPESVEHHOBEI-UGYDUONOSA-N
MW340.42 g/mol
LogP1.61
Rot. Bonds

About 1,2:3,4-Di-O-cyclohexylidene-myo-inositol

1,2:3,4-Di-O-cyclohexylidene-myo-inositol (PubChem CID 10291014) has the molecular formula C18H28O6 and a molecular weight of 340.42 g/mol.

Molecular Properties

Compound Name1,2:3,4-Di-O-cyclohexylidene-myo-inositol
PubChem CID10291014
Molecular FormulaC18H28O6
Molecular Weight340.42 g/mol
Exact Mass340.19
IUPAC Name—
SMILESO[C@H]1[C@H](O)[C@H]2OC3(CCCCC3)O[C@H]2[C@H]2OC3(CCCCC3)O[C@H]12
InChIInChI=1S/C18H28O6/c19-11-12(20)14-16(24-18(22-14)9-5-2-6-10-18)15-13(11)21-17(23-15)7-3-1-4-8-17/h11-16,19-20H,1-10H2/t11-,12-,13+,14+,15-,16+/m0/s1
InChIKeyPHAPESVEHHOBEI-UGYDUONOSA-N
XLogP1.61
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,2:3,4-Di-O-cyclohexylidene-myo-inositol?
The IUPAC name of 1,2:3,4-Di-O-cyclohexylidene-myo-inositol (CID 10291014) is not available.
What is the SMILES notation for 1,2:3,4-Di-O-cyclohexylidene-myo-inositol?
The canonical SMILES for 1,2:3,4-Di-O-cyclohexylidene-myo-inositol is O[C@H]1[C@H](O)[C@H]2OC3(CCCCC3)O[C@H]2[C@H]2OC3(CCCCC3)O[C@H]12.
What is the InChIKey of 1,2:3,4-Di-O-cyclohexylidene-myo-inositol?
The InChIKey is PHAPESVEHHOBEI-UGYDUONOSA-N. The full InChI is InChI=1S/C18H28O6/c19-11-12(20)14-16(24-18(22-14)9-5-2-6-10-18)15-13(11)21-17(23-15)7-3-1-4-8-17/h11-16,19-20H,1-10H2/t11-,12-,13+,14+,15-,16+/m0/s1.
What are the key properties of 1,2:3,4-Di-O-cyclohexylidene-myo-inositol?
1,2:3,4-Di-O-cyclohexylidene-myo-inositol has a molecular weight of 340.42 g/mol, XLogP of 1.61, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2:3,4-Di-O-cyclohexylidene-myo-inositol is sourced from PubChem (CID 10291014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).