CID 16703709

C8H18AlO2 — CID 16703709

IUPAC—
SMILESCCCCO[Al]OCCCC
InChIInChI=1S/2C4H9O.Al/c2*1-2-3-4-5;/h2*2-4H2,1H3;/q2*-1;+2
InChIKeyNABPXHQIHROCQF-UHFFFAOYSA-N
MW173.21 g/mol
LogP2.15
Rot. Bonds8

About CID 16703709

CID 16703709 (PubChem CID 16703709) has the molecular formula C8H18AlO2 and a molecular weight of 173.21 g/mol.

Molecular Properties

Compound NameCID 16703709
PubChem CID16703709
Molecular FormulaC8H18AlO2
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Name—
SMILESCCCCO[Al]OCCCC
InChIInChI=1S/2C4H9O.Al/c2*1-2-3-4-5;/h2*2-4H2,1H3;/q2*-1;+2
InChIKeyNABPXHQIHROCQF-UHFFFAOYSA-N
XLogP2.15
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 CID 16703709?
The IUPAC name of CID 16703709 (CID 16703709) is not available.
What is the SMILES notation for CID 16703709?
The canonical SMILES for CID 16703709 is CCCCO[Al]OCCCC.
What is the InChIKey of CID 16703709?
The InChIKey is NABPXHQIHROCQF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H9O.Al/c2*1-2-3-4-5;/h2*2-4H2,1H3;/q2*-1;+2.
What are the key properties of CID 16703709?
CID 16703709 has a molecular weight of 173.21 g/mol, XLogP of 2.15, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 16703709 is sourced from PubChem (CID 16703709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).