6-methylheptoxy-di(propan-2-yloxy)alumane

C14H31AlO3 — CID 16684167

IUPAC6-methylheptoxy-di(propan-2-yloxy)alumane
SMILESCC(C)CCCCCO[Al](OC(C)C)OC(C)C
InChIInChI=1S/C8H17O.2C3H7O.Al/c1-8(2)6-4-3-5-7-9;2*1-3(2)4;/h8H,3-7H2,1-2H3;2*3H,1-2H3;/q3*-1;+3
InChIKeyLBNITQHBOXSHIU-UHFFFAOYSA-N
MW274.38 g/mol
LogP4.05
Rot. Bonds11

About 6-methylheptoxy-di(propan-2-yloxy)alumane

6-methylheptoxy-di(propan-2-yloxy)alumane (PubChem CID 16684167) has the molecular formula C14H31AlO3 and a molecular weight of 274.38 g/mol. Its IUPAC name is 6-methylheptoxy-di(propan-2-yloxy)alumane.

Molecular Properties

Compound Name6-methylheptoxy-di(propan-2-yloxy)alumane
PubChem CID16684167
Molecular FormulaC14H31AlO3
Molecular Weight274.38 g/mol
Exact Mass274.21
IUPAC Name6-methylheptoxy-di(propan-2-yloxy)alumane
SMILESCC(C)CCCCCO[Al](OC(C)C)OC(C)C
InChIInChI=1S/C8H17O.2C3H7O.Al/c1-8(2)6-4-3-5-7-9;2*1-3(2)4;/h8H,3-7H2,1-2H3;2*3H,1-2H3;/q3*-1;+3
InChIKeyLBNITQHBOXSHIU-UHFFFAOYSA-N
XLogP4.05
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.38
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,6-Dimethoxy-3,7-dimethyloctane
CID 135017434
(2-Ethylhexan-1-olato)bis(propan-2-olato)aluminium
CID 56844092
3-(3-Methylbutyl)-1,2-dioxacyclododecane
CID 175233978
Aluminum;2-ethylhexan-1-olate;bis(propan-2-olate)
CID 102269268
2,6-Dimethylheptan-4-yloxyaluminum(2+)
CID 139598110
6-Methyl-1-propan-2-yloxyheptane
CID 22986982
1-Tert-butylperoxy-6-methylheptane
CID 53750084
1,3-Dimethoxy-6-methylheptane
CID 53884783
3,8-Dimethoxy-2,9-dimethyldecane
CID 58100189
CID 87397752
CID 87397752
1,3-Dimethoxy-2-methyldecane
CID 87997543
1-Butylperoxy-6-methylheptane
CID 88421117

Frequently Asked Questions

What is the IUPAC name of 6-methylheptoxy-di(propan-2-yloxy)alumane?
The IUPAC name of 6-methylheptoxy-di(propan-2-yloxy)alumane (CID 16684167) is 6-methylheptoxy-di(propan-2-yloxy)alumane.
What is the SMILES notation for 6-methylheptoxy-di(propan-2-yloxy)alumane?
The canonical SMILES for 6-methylheptoxy-di(propan-2-yloxy)alumane is CC(C)CCCCCO[Al](OC(C)C)OC(C)C.
What is the InChIKey of 6-methylheptoxy-di(propan-2-yloxy)alumane?
The InChIKey is LBNITQHBOXSHIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17O.2C3H7O.Al/c1-8(2)6-4-3-5-7-9;2*1-3(2)4;/h8H,3-7H2,1-2H3;2*3H,1-2H3;/q3*-1;+3.
What are the key properties of 6-methylheptoxy-di(propan-2-yloxy)alumane?
6-methylheptoxy-di(propan-2-yloxy)alumane has a molecular weight of 274.38 g/mol, XLogP of 4.05, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylheptoxy-di(propan-2-yloxy)alumane is sourced from PubChem (CID 16684167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).