CID 174954011

C11H24AlO3Si — CID 174954011

IUPAC—
SMILESCCCC[SiH]1CCCCO1.C[Al]OC(C)=O
InChIInChI=1S/C8H18OSi.C2H4O2.CH3.Al/c1-2-3-7-10-8-5-4-6-9-10;1-2(3)4;;/h10H,2-8H2,1H3;1H3,(H,3,4);1H3;/q;;;+1/p-1
InChIKeyRRQNFQWPINDWEO-UHFFFAOYSA-M
MW259.38 g/mol
LogP2.54
Rot. Bonds4

About CID 174954011

CID 174954011 (PubChem CID 174954011) has the molecular formula C11H24AlO3Si and a molecular weight of 259.38 g/mol.

Molecular Properties

Compound NameCID 174954011
PubChem CID174954011
Molecular FormulaC11H24AlO3Si
Molecular Weight259.38 g/mol
Exact Mass259.13
IUPAC Name—
SMILESCCCC[SiH]1CCCCO1.C[Al]OC(C)=O
InChIInChI=1S/C8H18OSi.C2H4O2.CH3.Al/c1-2-3-7-10-8-5-4-6-9-10;1-2(3)4;;/h10H,2-8H2,1H3;1H3,(H,3,4);1H3;/q;;;+1/p-1
InChIKeyRRQNFQWPINDWEO-UHFFFAOYSA-M
XLogP2.54
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.38
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(oxasilinan-2-yl)pentan-1-one
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1-(oxasilinan-2-yl)propan-1-one
CID 173082161
1-(oxasilinan-2-yl)octan-1-one
CID 173082141
1-(oxasilinan-2-yl)butan-1-one
CID 173082138
N-methylmethanamine;propan-1-amine;2-propyloxasilinane
CID 173299792
1,2,2,6,6-pentamethylpiperidine;2-propyloxasilinane
CID 174686072
butyl acetate;oxolane;propan-2-one
CID 158259250
2-propan-2-yloxasilinane;tetradecanoic acid
CID 173217204
hexane;methanol;propan-2-one
CID 174562588
2-hexadecoxy-6,6-dimethyl-2-(oxasilinan-2-ylmethoxy)oxasilinane
CID 173091214
2-octan-2-yloxyoxasilinane
CID 175422829
2-icosan-2-yloxyoxasilinane
CID 173083357

Frequently Asked Questions

What is the IUPAC name of CID 174954011?
The IUPAC name of CID 174954011 (CID 174954011) is not available.
What is the SMILES notation for CID 174954011?
The canonical SMILES for CID 174954011 is CCCC[SiH]1CCCCO1.C[Al]OC(C)=O.
What is the InChIKey of CID 174954011?
The InChIKey is RRQNFQWPINDWEO-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H18OSi.C2H4O2.CH3.Al/c1-2-3-7-10-8-5-4-6-9-10;1-2(3)4;;/h10H,2-8H2,1H3;1H3,(H,3,4);1H3;/q;;;+1/p-1.
What are the key properties of CID 174954011?
CID 174954011 has a molecular weight of 259.38 g/mol, XLogP of 2.54, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174954011 is sourced from PubChem (CID 174954011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).