alumane;2,4,5-trimethylheptane

C10H25Al — CID 174508217

IUPACalumane;2,4,5-trimethylheptane
SMILESCCC(C)C(C)CC(C)C.[AlH3]
InChIInChI=1S/C10H22.Al.3H/c1-6-9(4)10(5)7-8(2)3;;;;/h8-10H,6-7H2,1-5H3;;;;
InChIKeyDJAGDOHAUUNXRT-UHFFFAOYSA-N
MW172.29 g/mol
LogP2.53
Rot. Bonds4

About alumane;2,4,5-trimethylheptane

alumane;2,4,5-trimethylheptane (PubChem CID 174508217) has the molecular formula C10H25Al and a molecular weight of 172.29 g/mol. Its IUPAC name is alumane;2,4,5-trimethylheptane.

Molecular Properties

Compound Namealumane;2,4,5-trimethylheptane
PubChem CID174508217
Molecular FormulaC10H25Al
Molecular Weight172.29 g/mol
Exact Mass172.18
IUPAC Namealumane;2,4,5-trimethylheptane
SMILESCCC(C)C(C)CC(C)C.[AlH3]
InChIInChI=1S/C10H22.Al.3H/c1-6-9(4)10(5)7-8(2)3;;;;/h8-10H,6-7H2,1-5H3;;;;
InChIKeyDJAGDOHAUUNXRT-UHFFFAOYSA-N
XLogP2.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.29
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 91437014
2,4,6,7-tetramethylnonan-5-ol
CID 156689826
1-chloro-2,3,5-trimethylhexane
CID 130519679
(4S)-2,5-dimethylheptan-4-amine
CID 145304890
11-ethyl-2,4,5-trimethyltridecane
CID 91241452
(4S)-3,4-dimethylhexane;methyliodanuidylmethane
CID 168990410
3,5,6-trimethyloct-1-ene
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CID 56980634

Frequently Asked Questions

What is the IUPAC name of alumane;2,4,5-trimethylheptane?
The IUPAC name of alumane;2,4,5-trimethylheptane (CID 174508217) is alumane;2,4,5-trimethylheptane.
What is the SMILES notation for alumane;2,4,5-trimethylheptane?
The canonical SMILES for alumane;2,4,5-trimethylheptane is CCC(C)C(C)CC(C)C.[AlH3].
What is the InChIKey of alumane;2,4,5-trimethylheptane?
The InChIKey is DJAGDOHAUUNXRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22.Al.3H/c1-6-9(4)10(5)7-8(2)3;;;;/h8-10H,6-7H2,1-5H3;;;;.
What are the key properties of alumane;2,4,5-trimethylheptane?
alumane;2,4,5-trimethylheptane has a molecular weight of 172.29 g/mol, XLogP of 2.53, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for alumane;2,4,5-trimethylheptane is sourced from PubChem (CID 174508217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).