alumane;2,3-dimethylheptane

C9H23Al — CID 174508099

IUPACalumane;2,3-dimethylheptane
SMILESCCCCC(C)C(C)C.[AlH3]
InChIInChI=1S/C9H20.Al.3H/c1-5-6-7-9(4)8(2)3;;;;/h8-9H,5-7H2,1-4H3;;;;
InChIKeyDHHNDJKYSRHHIR-UHFFFAOYSA-N
MW158.26 g/mol
LogP2.28
Rot. Bonds4

About alumane;2,3-dimethylheptane

alumane;2,3-dimethylheptane (PubChem CID 174508099) has the molecular formula C9H23Al and a molecular weight of 158.26 g/mol. Its IUPAC name is alumane;2,3-dimethylheptane.

Molecular Properties

Compound Namealumane;2,3-dimethylheptane
PubChem CID174508099
Molecular FormulaC9H23Al
Molecular Weight158.26 g/mol
Exact Mass158.16
IUPAC Namealumane;2,3-dimethylheptane
SMILESCCCCC(C)C(C)C.[AlH3]
InChIInChI=1S/C9H20.Al.3H/c1-5-6-7-9(4)8(2)3;;;;/h8-9H,5-7H2,1-4H3;;;;
InChIKeyDHHNDJKYSRHHIR-UHFFFAOYSA-N
XLogP2.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.26
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(3R)-2,3-dimethylheptane;ethane
CID 163241846
2,3-dimethylheptane;ethane
CID 156648444
2,3-dimethylnonacosane
CID 71331945
2,3,14,15-tetramethylhenicosane
CID 123460288
(3S)-2,3-dimethylnonane;methane
CID 159246988
(3S,7R)-2,3,7,8-tetramethylnonane
CID 153439349
5,6,14,15-tetramethylnonadecane
CID 123473711
6-ethyl-2,3-dimethyldecane
CID 57491764
5-butyl-2,3-dimethylnonane
CID 123894711
(3R,4S)-2,3,4-trimethyltriacontane
CID 162967573
(5S,6R)-2,5,6-trimethyldecane
CID 154723790
5-fluoro-6-methyldecane
CID 123598559

Frequently Asked Questions

What is the IUPAC name of alumane;2,3-dimethylheptane?
The IUPAC name of alumane;2,3-dimethylheptane (CID 174508099) is alumane;2,3-dimethylheptane.
What is the SMILES notation for alumane;2,3-dimethylheptane?
The canonical SMILES for alumane;2,3-dimethylheptane is CCCCC(C)C(C)C.[AlH3].
What is the InChIKey of alumane;2,3-dimethylheptane?
The InChIKey is DHHNDJKYSRHHIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20.Al.3H/c1-5-6-7-9(4)8(2)3;;;;/h8-9H,5-7H2,1-4H3;;;;.
What are the key properties of alumane;2,3-dimethylheptane?
alumane;2,3-dimethylheptane has a molecular weight of 158.26 g/mol, XLogP of 2.28, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for alumane;2,3-dimethylheptane is sourced from PubChem (CID 174508099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).