8-(1,3-dioxolan-2-yl)octanal

C11H20O3 — CID 13164764

IUPAC8-(1,3-dioxolan-2-yl)octanal
SMILESO=CCCCCCCCC1OCCO1
InChIInChI=1S/C11H20O3/c12-8-6-4-2-1-3-5-7-11-13-9-10-14-11/h8,11H,1-7,9-10H2
InChIKeyRYGSZCYUUNTIHI-UHFFFAOYSA-N
MW200.28 g/mol
LogP2.29
Rot. Bonds8

About 8-(1,3-dioxolan-2-yl)octanal

8-(1,3-dioxolan-2-yl)octanal (PubChem CID 13164764) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is 8-(1,3-dioxolan-2-yl)octanal.

Molecular Properties

Compound Name8-(1,3-dioxolan-2-yl)octanal
PubChem CID13164764
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Name8-(1,3-dioxolan-2-yl)octanal
SMILESO=CCCCCCCCC1OCCO1
InChIInChI=1S/C11H20O3/c12-8-6-4-2-1-3-5-7-11-13-9-10-14-11/h8,11H,1-7,9-10H2
InChIKeyRYGSZCYUUNTIHI-UHFFFAOYSA-N
XLogP2.29
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-(1,3-dioxolan-2-yl)octanal?
The IUPAC name of 8-(1,3-dioxolan-2-yl)octanal (CID 13164764) is 8-(1,3-dioxolan-2-yl)octanal.
What is the SMILES notation for 8-(1,3-dioxolan-2-yl)octanal?
The canonical SMILES for 8-(1,3-dioxolan-2-yl)octanal is O=CCCCCCCCC1OCCO1.
What is the InChIKey of 8-(1,3-dioxolan-2-yl)octanal?
The InChIKey is RYGSZCYUUNTIHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3/c12-8-6-4-2-1-3-5-7-11-13-9-10-14-11/h8,11H,1-7,9-10H2.
What are the key properties of 8-(1,3-dioxolan-2-yl)octanal?
8-(1,3-dioxolan-2-yl)octanal has a molecular weight of 200.28 g/mol, XLogP of 2.29, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1,3-dioxolan-2-yl)octanal is sourced from PubChem (CID 13164764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).