alumane;6-methylheptanal

C8H19AlO — CID 174999973

IUPACalumane;6-methylheptanal
SMILESCC(C)CCCCC=O.[AlH3]
InChIInChI=1S/C8H16O.Al.3H/c1-8(2)6-4-3-5-7-9;;;;/h7-8H,3-6H2,1-2H3;;;;
InChIKeyIDQPQZMUNQRUCD-UHFFFAOYSA-N
MW158.22 g/mol
LogP1.22
Rot. Bonds5

About alumane;6-methylheptanal

alumane;6-methylheptanal (PubChem CID 174999973) has the molecular formula C8H19AlO and a molecular weight of 158.22 g/mol. Its IUPAC name is alumane;6-methylheptanal.

Molecular Properties

Compound Namealumane;6-methylheptanal
PubChem CID174999973
Molecular FormulaC8H19AlO
Molecular Weight158.22 g/mol
Exact Mass158.13
IUPAC Namealumane;6-methylheptanal
SMILESCC(C)CCCCC=O.[AlH3]
InChIInChI=1S/C8H16O.Al.3H/c1-8(2)6-4-3-5-7-9;;;;/h7-8H,3-6H2,1-2H3;;;;
InChIKeyIDQPQZMUNQRUCD-UHFFFAOYSA-N
XLogP1.22
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.22
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

12-methyltridecanal
CID 146297718
22-methyltricosanal
CID 86049143
18-methylnonadecanal
CID 22123977
methane;12-methyltridecanal
CID 175307429
disodium;hydride;16-methylheptadecanal;propanoic acid
CID 174913733
12-hydroxytridecanal
CID 11961599
methane;4-methylpentanal
CID 87157049
(E)-2,13-dimethyltetradec-7-ene
CID 176630990
(Z)-2,15-dimethylhexadec-8-ene
CID 176630952
(E)-2,15-dimethylhexadec-8-ene
CID 176630932
(E)-2,12-dimethyltridec-6-ene
CID 176630963
N,5-dimethylhexan-1-amine;18-oxooctadecanoic acid
CID 177324861

Frequently Asked Questions

What is the IUPAC name of alumane;6-methylheptanal?
The IUPAC name of alumane;6-methylheptanal (CID 174999973) is alumane;6-methylheptanal.
What is the SMILES notation for alumane;6-methylheptanal?
The canonical SMILES for alumane;6-methylheptanal is CC(C)CCCCC=O.[AlH3].
What is the InChIKey of alumane;6-methylheptanal?
The InChIKey is IDQPQZMUNQRUCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O.Al.3H/c1-8(2)6-4-3-5-7-9;;;;/h7-8H,3-6H2,1-2H3;;;;.
What are the key properties of alumane;6-methylheptanal?
alumane;6-methylheptanal has a molecular weight of 158.22 g/mol, XLogP of 1.22, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for alumane;6-methylheptanal is sourced from PubChem (CID 174999973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).