bis(2-methylpropyl)alumane;1,4-dioxaspiro[4.5]decane-8-carbaldehyde

C17H33AlO3 — CID 160644145

IUPACbis(2-methylpropyl)alumane;1,4-dioxaspiro[4.5]decane-8-carbaldehyde
SMILESCC(C)C[AlH]CC(C)C.O=CC1CCC2(CC1)OCCO2
InChIInChI=1S/C9H14O3.2C4H9.Al.H/c10-7-8-1-3-9(4-2-8)11-5-6-12-9;2*1-4(2)3;;/h7-8H,1-6H2;2*4H,1H2,2-3H3;;
InChIKeyRJOGCCMULKKWQS-UHFFFAOYSA-N
MW312.43 g/mol
LogP3.69
Rot. Bonds5

About bis(2-methylpropyl)alumane;1,4-dioxaspiro[4.5]decane-8-carbaldehyde

bis(2-methylpropyl)alumane;1,4-dioxaspiro[4.5]decane-8-carbaldehyde (PubChem CID 160644145) has the molecular formula C17H33AlO3 and a molecular weight of 312.43 g/mol. Its IUPAC name is bis(2-methylpropyl)alumane;1,4-dioxaspiro[4.5]decane-8-carbaldehyde.

Molecular Properties

Compound Namebis(2-methylpropyl)alumane;1,4-dioxaspiro[4.5]decane-8-carbaldehyde
PubChem CID160644145
Molecular FormulaC17H33AlO3
Molecular Weight312.43 g/mol
Exact Mass312.22
IUPAC Namebis(2-methylpropyl)alumane;1,4-dioxaspiro[4.5]decane-8-carbaldehyde
SMILESCC(C)C[AlH]CC(C)C.O=CC1CCC2(CC1)OCCO2
InChIInChI=1S/C9H14O3.2C4H9.Al.H/c10-7-8-1-3-9(4-2-8)11-5-6-12-9;2*1-4(2)3;;/h7-8H,1-6H2;2*4H,1H2,2-3H3;;
InChIKeyRJOGCCMULKKWQS-UHFFFAOYSA-N
XLogP3.69
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.43
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

9-propan-2-yl-1,5-dioxaspiro[5.5]undecane
CID 6455055
2-(1,4-dioxaspiro[4.5]decan-8-yl)-N-propan-2-ylacetamide
CID 102852256
8-propan-2-ylsulfanyl-1,4-dioxaspiro[4.5]decane
CID 175668782
N-(1,4-dioxaspiro[4.5]decan-8-yl)-3-methylbutane-1-sulfonamide
CID 78942691
2-[1,4-dioxaspiro[4.5]decan-8-yl(methyl)amino]-N,N-diethylpropanamide
CID 79118803
N-[(1S)-1-cyclohexylethyl]-1,4-dioxaspiro[4.5]decan-8-amine
CID 81387414
N-[(1R)-1-cycloheptylethyl]-1,4-dioxaspiro[4.5]decan-8-amine
CID 81390369
1-[1,4-dioxaspiro[4.5]decan-8-yl(methyl)amino]propan-2-ol
CID 79119752
N-(1-methylsulfinylpropan-2-yl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 104814286
8-(cyclopropylmethyl)-1,4-dioxaspiro[4.5]decane
CID 58749727
2-(1,4-dioxaspiro[4.5]decan-8-ylamino)-N,4-dimethylpentanamide
CID 43750672
N-butan-2-yl-2-(1,4-dioxaspiro[4.5]decan-8-yloxy)acetamide
CID 113414158

Frequently Asked Questions

What is the IUPAC name of bis(2-methylpropyl)alumane;1,4-dioxaspiro[4.5]decane-8-carbaldehyde?
The IUPAC name of bis(2-methylpropyl)alumane;1,4-dioxaspiro[4.5]decane-8-carbaldehyde (CID 160644145) is bis(2-methylpropyl)alumane;1,4-dioxaspiro[4.5]decane-8-carbaldehyde.
What is the SMILES notation for bis(2-methylpropyl)alumane;1,4-dioxaspiro[4.5]decane-8-carbaldehyde?
The canonical SMILES for bis(2-methylpropyl)alumane;1,4-dioxaspiro[4.5]decane-8-carbaldehyde is CC(C)C[AlH]CC(C)C.O=CC1CCC2(CC1)OCCO2.
What is the InChIKey of bis(2-methylpropyl)alumane;1,4-dioxaspiro[4.5]decane-8-carbaldehyde?
The InChIKey is RJOGCCMULKKWQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O3.2C4H9.Al.H/c10-7-8-1-3-9(4-2-8)11-5-6-12-9;2*1-4(2)3;;/h7-8H,1-6H2;2*4H,1H2,2-3H3;;.
What are the key properties of bis(2-methylpropyl)alumane;1,4-dioxaspiro[4.5]decane-8-carbaldehyde?
bis(2-methylpropyl)alumane;1,4-dioxaspiro[4.5]decane-8-carbaldehyde has a molecular weight of 312.43 g/mol, XLogP of 3.69, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-methylpropyl)alumane;1,4-dioxaspiro[4.5]decane-8-carbaldehyde is sourced from PubChem (CID 160644145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).