bis(3,6-dihydroxyoctyl) carbonate

C17H34O7 — CID 146442796

IUPACbis(3,6-dihydroxyoctyl) carbonate
SMILESCCC(O)CCC(O)CCOC(=O)OCCC(O)CCC(O)CC
InChIInChI=1S/C17H34O7/c1-3-13(18)5-7-15(20)9-11-23-17(22)24-12-10-16(21)8-6-14(19)4-2/h13-16,18-21H,3-12H2,1-2H3
InChIKeyAOAWWNOJYLBHSZ-UHFFFAOYSA-N
MW350.45 g/mol
LogP1.74
Rot. Bonds14

About bis(3,6-dihydroxyoctyl) carbonate

bis(3,6-dihydroxyoctyl) carbonate (PubChem CID 146442796) has the molecular formula C17H34O7 and a molecular weight of 350.45 g/mol. Its IUPAC name is bis(3,6-dihydroxyoctyl) carbonate.

Molecular Properties

Compound Namebis(3,6-dihydroxyoctyl) carbonate
PubChem CID146442796
Molecular FormulaC17H34O7
Molecular Weight350.45 g/mol
Exact Mass350.23
IUPAC Namebis(3,6-dihydroxyoctyl) carbonate
SMILESCCC(O)CCC(O)CCOC(=O)OCCC(O)CCC(O)CC
InChIInChI=1S/C17H34O7/c1-3-13(18)5-7-15(20)9-11-23-17(22)24-12-10-16(21)8-6-14(19)4-2/h13-16,18-21H,3-12H2,1-2H3
InChIKeyAOAWWNOJYLBHSZ-UHFFFAOYSA-N
XLogP1.74
TPSA116.45 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.45
LogP ≤ 51.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of bis(3,6-dihydroxyoctyl) carbonate?
The IUPAC name of bis(3,6-dihydroxyoctyl) carbonate (CID 146442796) is bis(3,6-dihydroxyoctyl) carbonate.
What is the SMILES notation for bis(3,6-dihydroxyoctyl) carbonate?
The canonical SMILES for bis(3,6-dihydroxyoctyl) carbonate is CCC(O)CCC(O)CCOC(=O)OCCC(O)CCC(O)CC.
What is the InChIKey of bis(3,6-dihydroxyoctyl) carbonate?
The InChIKey is AOAWWNOJYLBHSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34O7/c1-3-13(18)5-7-15(20)9-11-23-17(22)24-12-10-16(21)8-6-14(19)4-2/h13-16,18-21H,3-12H2,1-2H3.
What are the key properties of bis(3,6-dihydroxyoctyl) carbonate?
bis(3,6-dihydroxyoctyl) carbonate has a molecular weight of 350.45 g/mol, XLogP of 1.74, 14 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3,6-dihydroxyoctyl) carbonate is sourced from PubChem (CID 146442796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).