alumane;6-methylheptan-1-ol

C8H21AlO — CID 174615736

IUPACalumane;6-methylheptan-1-ol
SMILESCC(C)CCCCCO.[AlH3]
InChIInChI=1S/C8H18O.Al.3H/c1-8(2)6-4-3-5-7-9;;;;/h8-9H,3-7H2,1-2H3;;;;
InChIKeyYOVXGFNMRZGZRD-UHFFFAOYSA-N
MW160.24 g/mol
LogP1.01
Rot. Bonds5

About alumane;6-methylheptan-1-ol

alumane;6-methylheptan-1-ol (PubChem CID 174615736) has the molecular formula C8H21AlO and a molecular weight of 160.24 g/mol. Its IUPAC name is alumane;6-methylheptan-1-ol.

Molecular Properties

Compound Namealumane;6-methylheptan-1-ol
PubChem CID174615736
Molecular FormulaC8H21AlO
Molecular Weight160.24 g/mol
Exact Mass160.14
IUPAC Namealumane;6-methylheptan-1-ol
SMILESCC(C)CCCCCO.[AlH3]
InChIInChI=1S/C8H18O.Al.3H/c1-8(2)6-4-3-5-7-9;;;;/h8-9H,3-7H2,1-2H3;;;;
InChIKeyYOVXGFNMRZGZRD-UHFFFAOYSA-N
XLogP1.01
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.24
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 161175838
CID 6335748
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bis(5-methylhexan-1-ol);zirconium(4+);tetrahydroxide
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Frequently Asked Questions

What is the IUPAC name of alumane;6-methylheptan-1-ol?
The IUPAC name of alumane;6-methylheptan-1-ol (CID 174615736) is alumane;6-methylheptan-1-ol.
What is the SMILES notation for alumane;6-methylheptan-1-ol?
The canonical SMILES for alumane;6-methylheptan-1-ol is CC(C)CCCCCO.[AlH3].
What is the InChIKey of alumane;6-methylheptan-1-ol?
The InChIKey is YOVXGFNMRZGZRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O.Al.3H/c1-8(2)6-4-3-5-7-9;;;;/h8-9H,3-7H2,1-2H3;;;;.
What are the key properties of alumane;6-methylheptan-1-ol?
alumane;6-methylheptan-1-ol has a molecular weight of 160.24 g/mol, XLogP of 1.01, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for alumane;6-methylheptan-1-ol is sourced from PubChem (CID 174615736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).