alumane;2,2-bis(2-methylpropyl)oxane

C13H29AlO — CID 173267840

IUPACalumane;2,2-bis(2-methylpropyl)oxane
SMILESCC(C)CC1(CC(C)C)CCCCO1.[AlH3]
InChIInChI=1S/C13H26O.Al.3H/c1-11(2)9-13(10-12(3)4)7-5-6-8-14-13;;;;/h11-12H,5-10H2,1-4H3;;;;
InChIKeyGQIMGDWRAXYVER-UHFFFAOYSA-N
MW228.36 g/mol
LogP2.83
Rot. Bonds4

About alumane;2,2-bis(2-methylpropyl)oxane

alumane;2,2-bis(2-methylpropyl)oxane (PubChem CID 173267840) has the molecular formula C13H29AlO and a molecular weight of 228.36 g/mol. Its IUPAC name is alumane;2,2-bis(2-methylpropyl)oxane.

Molecular Properties

Compound Namealumane;2,2-bis(2-methylpropyl)oxane
PubChem CID173267840
Molecular FormulaC13H29AlO
Molecular Weight228.36 g/mol
Exact Mass228.20
IUPAC Namealumane;2,2-bis(2-methylpropyl)oxane
SMILESCC(C)CC1(CC(C)C)CCCCO1.[AlH3]
InChIInChI=1S/C13H26O.Al.3H/c1-11(2)9-13(10-12(3)4)7-5-6-8-14-13;;;;/h11-12H,5-10H2,1-4H3;;;;
InChIKeyGQIMGDWRAXYVER-UHFFFAOYSA-N
XLogP2.83
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,2-bis(2-methylpropyl)oxane
CID 57237158
methyl-[2-(2-methylpropyl)oxan-2-yl]silane
CID 173413244
2,2-bis(4,4-difluorobutyl)oxane
CID 57090603
(2-propyloxan-2-yl)methanol
CID 130609944
2-(bromomethyl)-2-(methoxymethyl)oxane
CID 130624431
CID 71376373
CID 71376373
2-(bromomethyl)-2-[(1-methylcyclopentyl)methyl]oxane
CID 130609946
[2-(2-methylbutyl)oxan-2-yl]silane
CID 175314634
(2-propan-2-yloxan-2-yl)silane
CID 123630971
2-(2-methylpropyl)-2-phenyl-1,3-dioxane
CID 89439871
2,2-dimethyloxane;ethane;3-methylbutan-1-ol
CID 178173409
2-butyl-2-ethyloxolane;methane
CID 159867268

Frequently Asked Questions

What is the IUPAC name of alumane;2,2-bis(2-methylpropyl)oxane?
The IUPAC name of alumane;2,2-bis(2-methylpropyl)oxane (CID 173267840) is alumane;2,2-bis(2-methylpropyl)oxane.
What is the SMILES notation for alumane;2,2-bis(2-methylpropyl)oxane?
The canonical SMILES for alumane;2,2-bis(2-methylpropyl)oxane is CC(C)CC1(CC(C)C)CCCCO1.[AlH3].
What is the InChIKey of alumane;2,2-bis(2-methylpropyl)oxane?
The InChIKey is GQIMGDWRAXYVER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O.Al.3H/c1-11(2)9-13(10-12(3)4)7-5-6-8-14-13;;;;/h11-12H,5-10H2,1-4H3;;;;.
What are the key properties of alumane;2,2-bis(2-methylpropyl)oxane?
alumane;2,2-bis(2-methylpropyl)oxane has a molecular weight of 228.36 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for alumane;2,2-bis(2-methylpropyl)oxane is sourced from PubChem (CID 173267840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).