acetylene;2,4-dimethylpentane

C9H18 — CID 167651238

IUPACacetylene;2,4-dimethylpentane
SMILESC#C.CC(C)CC(C)C
InChIInChI=1S/C7H16.C2H2/c1-6(2)5-7(3)4;1-2/h6-7H,5H2,1-4H3;1-2H
InChIKeyQPPOHOGHRNTMGK-UHFFFAOYSA-N
MW126.24 g/mol
LogP2.94
Rot. Bonds2

About acetylene;2,4-dimethylpentane

acetylene;2,4-dimethylpentane (PubChem CID 167651238) has the molecular formula C9H18 and a molecular weight of 126.24 g/mol. Its IUPAC name is acetylene;2,4-dimethylpentane.

Molecular Properties

Compound Nameacetylene;2,4-dimethylpentane
PubChem CID167651238
Molecular FormulaC9H18
Molecular Weight126.24 g/mol
Exact Mass126.14
IUPAC Nameacetylene;2,4-dimethylpentane
SMILESC#C.CC(C)CC(C)C
InChIInChI=1S/C7H16.C2H2/c1-6(2)5-7(3)4;1-2/h6-7H,5H2,1-4H3;1-2H
InChIKeyQPPOHOGHRNTMGK-UHFFFAOYSA-N
XLogP2.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.24
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2,4-dimethylpentane
CID 157050020
2,4-dimethylpentane;methane
CID 159476318
acetylene;2,4,6-trimethylheptane
CID 144531255
2,5-dimethylhexane;2,4-dimethylpentane;2-methylpropane
CID 158252913
bis(2,4-dimethylpentane);propane;tungsten(2+)
CID 157303030
2,4-dimethylpentane;pentane
CID 161023213
2,4,6,8,10,12,14,16,18,20-decamethylhenicosane
CID 123384520
(4R,8R)-2,4,6,8,10-pentamethylundecane
CID 134836322
2,3,5-trimethylhexane-1-thiol
CID 56980634
2,4-dimethylpentane;ethane;heptane
CID 153392396
[(2S)-4-methylpentan-2-yl]azanium
CID 6994057
propane;2,4,6-trimethylheptane
CID 165013878

Frequently Asked Questions

What is the IUPAC name of acetylene;2,4-dimethylpentane?
The IUPAC name of acetylene;2,4-dimethylpentane (CID 167651238) is acetylene;2,4-dimethylpentane.
What is the SMILES notation for acetylene;2,4-dimethylpentane?
The canonical SMILES for acetylene;2,4-dimethylpentane is C#C.CC(C)CC(C)C.
What is the InChIKey of acetylene;2,4-dimethylpentane?
The InChIKey is QPPOHOGHRNTMGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16.C2H2/c1-6(2)5-7(3)4;1-2/h6-7H,5H2,1-4H3;1-2H.
What are the key properties of acetylene;2,4-dimethylpentane?
acetylene;2,4-dimethylpentane has a molecular weight of 126.24 g/mol, XLogP of 2.94, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;2,4-dimethylpentane is sourced from PubChem (CID 167651238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).