2,5-dimethylheptane;propane

C12H28 — CID 145235091

IUPAC2,5-dimethylheptane;propane
SMILESCCC.CCC(C)CCC(C)C
InChIInChI=1S/C9H20.C3H8/c1-5-9(4)7-6-8(2)3;1-3-2/h8-9H,5-7H2,1-4H3;3H2,1-2H3
InChIKeyPOKUNNBXVJMTGK-UHFFFAOYSA-N
MW172.36 g/mol
LogP4.89
Rot. Bonds4

About 2,5-dimethylheptane;propane

2,5-dimethylheptane;propane (PubChem CID 145235091) has the molecular formula C12H28 and a molecular weight of 172.36 g/mol. Its IUPAC name is 2,5-dimethylheptane;propane.

Molecular Properties

Compound Name2,5-dimethylheptane;propane
PubChem CID145235091
Molecular FormulaC12H28
Molecular Weight172.36 g/mol
Exact Mass172.22
IUPAC Name2,5-dimethylheptane;propane
SMILESCCC.CCC(C)CCC(C)C
InChIInChI=1S/C9H20.C3H8/c1-5-9(4)7-6-8(2)3;1-3-2/h8-9H,5-7H2,1-4H3;3H2,1-2H3
InChIKeyPOKUNNBXVJMTGK-UHFFFAOYSA-N
XLogP4.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.36
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 6428605
3-methylpentane;propane
CID 123266773
ethane;3,6,7,10-tetramethyldodecane
CID 143901344
(3R,6R)-3,6-dimethylnonane
CID 170848352
2,5-dimethylhexyl-methyl-(2-methylbutyl)borane
CID 123923562
2,6,10,15,19-pentamethylhenicosane
CID 6428617
magnesium;2,6-dimethyloctane;dibromide
CID 175146229
ethane;2-methylpropane;propane;2,4,7-trimethyloctane
CID 144533739
2,11,23-trimethylpentacosane
CID 123728262
(3R,7R)-3,7-dimethylnonane
CID 42626759
3-ethyl-2,6,9-trimethyldecane
CID 91256736
3-methylheptane;2-methylpentane
CID 165405793

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethylheptane;propane?
The IUPAC name of 2,5-dimethylheptane;propane (CID 145235091) is 2,5-dimethylheptane;propane.
What is the SMILES notation for 2,5-dimethylheptane;propane?
The canonical SMILES for 2,5-dimethylheptane;propane is CCC.CCC(C)CCC(C)C.
What is the InChIKey of 2,5-dimethylheptane;propane?
The InChIKey is POKUNNBXVJMTGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20.C3H8/c1-5-9(4)7-6-8(2)3;1-3-2/h8-9H,5-7H2,1-4H3;3H2,1-2H3.
What are the key properties of 2,5-dimethylheptane;propane?
2,5-dimethylheptane;propane has a molecular weight of 172.36 g/mol, XLogP of 4.89, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethylheptane;propane is sourced from PubChem (CID 145235091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).