carbon dioxide;1,3-xylene

C9H10O2 — CID 160806691

IUPACcarbon dioxide;1,3-xylene
SMILESCc1cccc(C)c1.O=C=O
InChIInChI=1S/C8H10.CO2/c1-7-4-3-5-8(2)6-7;2-1-3/h3-6H,1-2H3;
InChIKeySDTZHPIUJRXROF-UHFFFAOYSA-N
MW150.18 g/mol
LogP1.72
Rot. Bonds

About carbon dioxide;1,3-xylene

carbon dioxide;1,3-xylene (PubChem CID 160806691) has the molecular formula C9H10O2 and a molecular weight of 150.18 g/mol. Its IUPAC name is carbon dioxide;1,3-xylene.

Molecular Properties

Compound Namecarbon dioxide;1,3-xylene
PubChem CID160806691
Molecular FormulaC9H10O2
Molecular Weight150.18 g/mol
Exact Mass150.07
IUPAC Namecarbon dioxide;1,3-xylene
SMILESCc1cccc(C)c1.O=C=O
InChIInChI=1S/C8H10.CO2/c1-7-4-3-5-8(2)6-7;2-1-3/h3-6H,1-2H3;
InChIKeySDTZHPIUJRXROF-UHFFFAOYSA-N
XLogP1.72
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 70638628
methane;1,3-xylene;1,4-xylene
CID 161051420
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CID 156743127
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CID 145425556

Frequently Asked Questions

What is the IUPAC name of carbon dioxide;1,3-xylene?
The IUPAC name of carbon dioxide;1,3-xylene (CID 160806691) is carbon dioxide;1,3-xylene.
What is the SMILES notation for carbon dioxide;1,3-xylene?
The canonical SMILES for carbon dioxide;1,3-xylene is Cc1cccc(C)c1.O=C=O.
What is the InChIKey of carbon dioxide;1,3-xylene?
The InChIKey is SDTZHPIUJRXROF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10.CO2/c1-7-4-3-5-8(2)6-7;2-1-3/h3-6H,1-2H3;.
What are the key properties of carbon dioxide;1,3-xylene?
carbon dioxide;1,3-xylene has a molecular weight of 150.18 g/mol, XLogP of 1.72, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbon dioxide;1,3-xylene is sourced from PubChem (CID 160806691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).