1,2:4,5-Biscyclohexylidene DL-myo-Inositol

C18H28O6 — CID 3249464

IUPAC—
SMILESOC1C2OC3(CCCCC3)OC2C(O)C2OC3(CCCCC3)OC12
InChIInChI=1S/C18H28O6/c19-11-13-14(22-17(21-13)7-3-1-4-8-17)12(20)16-15(11)23-18(24-16)9-5-2-6-10-18/h11-16,19-20H,1-10H2
InChIKeyLJLFYCLESOMKAW-UHFFFAOYSA-N
MW340.42 g/mol
LogP1.61
Rot. Bonds

About 1,2:4,5-Biscyclohexylidene DL-myo-Inositol

1,2:4,5-Biscyclohexylidene DL-myo-Inositol (PubChem CID 3249464) has the molecular formula C18H28O6 and a molecular weight of 340.42 g/mol.

Molecular Properties

Compound Name1,2:4,5-Biscyclohexylidene DL-myo-Inositol
PubChem CID3249464
Molecular FormulaC18H28O6
Molecular Weight340.42 g/mol
Exact Mass340.19
IUPAC Name—
SMILESOC1C2OC3(CCCCC3)OC2C(O)C2OC3(CCCCC3)OC12
InChIInChI=1S/C18H28O6/c19-11-13-14(22-17(21-13)7-3-1-4-8-17)12(20)16-15(11)23-18(24-16)9-5-2-6-10-18/h11-16,19-20H,1-10H2
InChIKeyLJLFYCLESOMKAW-UHFFFAOYSA-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 1,2:4,5-Biscyclohexylidene DL-myo-Inositol?
The IUPAC name of 1,2:4,5-Biscyclohexylidene DL-myo-Inositol (CID 3249464) is not available.
What is the SMILES notation for 1,2:4,5-Biscyclohexylidene DL-myo-Inositol?
The canonical SMILES for 1,2:4,5-Biscyclohexylidene DL-myo-Inositol is OC1C2OC3(CCCCC3)OC2C(O)C2OC3(CCCCC3)OC12.
What is the InChIKey of 1,2:4,5-Biscyclohexylidene DL-myo-Inositol?
The InChIKey is LJLFYCLESOMKAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O6/c19-11-13-14(22-17(21-13)7-3-1-4-8-17)12(20)16-15(11)23-18(24-16)9-5-2-6-10-18/h11-16,19-20H,1-10H2.
What are the key properties of 1,2:4,5-Biscyclohexylidene DL-myo-Inositol?
1,2:4,5-Biscyclohexylidene DL-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 1,2:4,5-Biscyclohexylidene DL-myo-Inositol is sourced from PubChem (CID 3249464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).