CID 3613435

C18H28O6 — CID 3613435

IUPAC—
SMILESOC1C(O)C2OC3(CCCCC3)OC2C2OC3(CCCCC3)OC12
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
InChIKeyPHAPESVEHHOBEI-UHFFFAOYSA-N
MW340.42 g/mol
LogP1.61
Rot. Bonds

About CID 3613435

CID 3613435 (PubChem CID 3613435) has the molecular formula C18H28O6 and a molecular weight of 340.42 g/mol.

Molecular Properties

Compound NameCID 3613435
PubChem CID3613435
Molecular FormulaC18H28O6
Molecular Weight340.42 g/mol
Exact Mass340.19
IUPAC Name—
SMILESOC1C(O)C2OC3(CCCCC3)OC2C2OC3(CCCCC3)OC12
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
InChIKeyPHAPESVEHHOBEI-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 CID 3613435?
The IUPAC name of CID 3613435 (CID 3613435) is not available.
What is the SMILES notation for CID 3613435?
The canonical SMILES for CID 3613435 is OC1C(O)C2OC3(CCCCC3)OC2C2OC3(CCCCC3)OC12.
What is the InChIKey of CID 3613435?
The InChIKey is PHAPESVEHHOBEI-UHFFFAOYSA-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.
What are the key properties of CID 3613435?
CID 3613435 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 CID 3613435 is sourced from PubChem (CID 3613435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).