1,9-bis(1,3-dioxol-2-yl)nonan-5-ol

C15H24O5 — CID 169084555

IUPAC1,9-bis(1,3-dioxol-2-yl)nonan-5-ol
SMILESOC(CCCCC1OC=CO1)CCCCC1OC=CO1
InChIInChI=1S/C15H24O5/c16-13(5-1-3-7-14-17-9-10-18-14)6-2-4-8-15-19-11-12-20-15/h9-16H,1-8H2
InChIKeyRKXCHZUXDGMOSX-UHFFFAOYSA-N
MW284.35 g/mol
LogP3.16
Rot. Bonds10

About 1,9-bis(1,3-dioxol-2-yl)nonan-5-ol

1,9-bis(1,3-dioxol-2-yl)nonan-5-ol (PubChem CID 169084555) has the molecular formula C15H24O5 and a molecular weight of 284.35 g/mol. Its IUPAC name is 1,9-bis(1,3-dioxol-2-yl)nonan-5-ol.

Molecular Properties

Compound Name1,9-bis(1,3-dioxol-2-yl)nonan-5-ol
PubChem CID169084555
Molecular FormulaC15H24O5
Molecular Weight284.35 g/mol
Exact Mass284.16
IUPAC Name1,9-bis(1,3-dioxol-2-yl)nonan-5-ol
SMILESOC(CCCCC1OC=CO1)CCCCC1OC=CO1
InChIInChI=1S/C15H24O5/c16-13(5-1-3-7-14-17-9-10-18-14)6-2-4-8-15-19-11-12-20-15/h9-16H,1-8H2
InChIKeyRKXCHZUXDGMOSX-UHFFFAOYSA-N
XLogP3.16
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.35
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,9-bis(1,3-dioxol-2-yl)nonan-5-ol?
The IUPAC name of 1,9-bis(1,3-dioxol-2-yl)nonan-5-ol (CID 169084555) is 1,9-bis(1,3-dioxol-2-yl)nonan-5-ol.
What is the SMILES notation for 1,9-bis(1,3-dioxol-2-yl)nonan-5-ol?
The canonical SMILES for 1,9-bis(1,3-dioxol-2-yl)nonan-5-ol is OC(CCCCC1OC=CO1)CCCCC1OC=CO1.
What is the InChIKey of 1,9-bis(1,3-dioxol-2-yl)nonan-5-ol?
The InChIKey is RKXCHZUXDGMOSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O5/c16-13(5-1-3-7-14-17-9-10-18-14)6-2-4-8-15-19-11-12-20-15/h9-16H,1-8H2.
What are the key properties of 1,9-bis(1,3-dioxol-2-yl)nonan-5-ol?
1,9-bis(1,3-dioxol-2-yl)nonan-5-ol has a molecular weight of 284.35 g/mol, XLogP of 3.16, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,9-bis(1,3-dioxol-2-yl)nonan-5-ol is sourced from PubChem (CID 169084555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).