molecular hydrogen;propane;1,4-xylene

C11H20 — CID 170763925

IUPACmolecular hydrogen;propane;1,4-xylene
SMILESCCC.Cc1ccc(C)cc1.[H][H]
InChIInChI=1S/C8H10.C3H8.H2/c1-7-3-5-8(2)6-4-7;1-3-2;/h3-6H,1-2H3;3H2,1-2H3;1H
InChIKeySDAFTQSGIUKJHK-UHFFFAOYSA-N
MW152.28 g/mol
LogP3.97
Rot. Bonds

About molecular hydrogen;propane;1,4-xylene

molecular hydrogen;propane;1,4-xylene (PubChem CID 170763925) has the molecular formula C11H20 and a molecular weight of 152.28 g/mol. Its IUPAC name is molecular hydrogen;propane;1,4-xylene.

Molecular Properties

Compound Namemolecular hydrogen;propane;1,4-xylene
PubChem CID170763925
Molecular FormulaC11H20
Molecular Weight152.28 g/mol
Exact Mass152.16
IUPAC Namemolecular hydrogen;propane;1,4-xylene
SMILESCCC.Cc1ccc(C)cc1.[H][H]
InChIInChI=1S/C8H10.C3H8.H2/c1-7-3-5-8(2)6-4-7;1-3-2;/h3-6H,1-2H3;3H2,1-2H3;1H
InChIKeySDAFTQSGIUKJHK-UHFFFAOYSA-N
XLogP3.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.28
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 70196397
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CID 167564675
methane;1-methyl-4-[(4-methylphenyl)methyl]benzene;propane;1,4-xylene
CID 162237370
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Frequently Asked Questions

What is the IUPAC name of molecular hydrogen;propane;1,4-xylene?
The IUPAC name of molecular hydrogen;propane;1,4-xylene (CID 170763925) is molecular hydrogen;propane;1,4-xylene.
What is the SMILES notation for molecular hydrogen;propane;1,4-xylene?
The canonical SMILES for molecular hydrogen;propane;1,4-xylene is CCC.Cc1ccc(C)cc1.[H][H].
What is the InChIKey of molecular hydrogen;propane;1,4-xylene?
The InChIKey is SDAFTQSGIUKJHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10.C3H8.H2/c1-7-3-5-8(2)6-4-7;1-3-2;/h3-6H,1-2H3;3H2,1-2H3;1H.
What are the key properties of molecular hydrogen;propane;1,4-xylene?
molecular hydrogen;propane;1,4-xylene has a molecular weight of 152.28 g/mol, XLogP of 3.97, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for molecular hydrogen;propane;1,4-xylene is sourced from PubChem (CID 170763925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).