alumane;5-methylheptanal

C8H19AlO — CID 175597367

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

About alumane;5-methylheptanal

alumane;5-methylheptanal (PubChem CID 175597367) has the molecular formula C8H19AlO and a molecular weight of 158.22 g/mol. Its IUPAC name is alumane;5-methylheptanal.

Molecular Properties

Compound Namealumane;5-methylheptanal
PubChem CID175597367
Molecular FormulaC8H19AlO
Molecular Weight158.22 g/mol
Exact Mass158.13
IUPAC Namealumane;5-methylheptanal
SMILESCCC(C)CCCC=O.[AlH3]
InChIInChI=1S/C8H16O.Al.3H/c1-3-8(2)6-4-5-7-9;;;;/h7-8H,3-6H2,1-2H3;;;;
InChIKeyJUQKDGDQIBRIKS-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

(E)-14-methylhexadec-8-enal
CID 6073809
4,7-dimethylnonanal
CID 87290996
3-methylpentane;pentanal
CID 142027921
5,9-dimethylhexadecanal
CID 123900450
(3R,7R)-3,7-dimethylnonane
CID 42626759
8-methyldec-3-ene
CID 54115614
2,11-dimethyltridec-6-ene
CID 123657363
alumane;6-methylheptanal
CID 174999973
5,7,9-trimethyldecanal
CID 135207816
2-ethylpentanal;5-methylhexanal
CID 23315878
3-methylheptane;oxotitanium
CID 174602327
5-ethylundecanal
CID 54527856

Frequently Asked Questions

What is the IUPAC name of alumane;5-methylheptanal?
The IUPAC name of alumane;5-methylheptanal (CID 175597367) is alumane;5-methylheptanal.
What is the SMILES notation for alumane;5-methylheptanal?
The canonical SMILES for alumane;5-methylheptanal is CCC(C)CCCC=O.[AlH3].
What is the InChIKey of alumane;5-methylheptanal?
The InChIKey is JUQKDGDQIBRIKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O.Al.3H/c1-3-8(2)6-4-5-7-9;;;;/h7-8H,3-6H2,1-2H3;;;;.
What are the key properties of alumane;5-methylheptanal?
alumane;5-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;5-methylheptanal is sourced from PubChem (CID 175597367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).