ethane;pentane;1,3-xylene

C17H34 — CID 142052962

IUPACethane;pentane;1,3-xylene
SMILESCC.CC.CCCCC.Cc1cccc(C)c1
InChIInChI=1S/C8H10.C5H12.2C2H6/c1-7-4-3-5-8(2)6-7;1-3-5-4-2;2*1-2/h3-6H,1-2H3;3-5H2,1-2H3;2*1-2H3
InChIKeyHSYWDBWJFGBRRK-UHFFFAOYSA-N
MW238.46 g/mol
LogP6.55
Rot. Bonds2

About ethane;pentane;1,3-xylene

ethane;pentane;1,3-xylene (PubChem CID 142052962) has the molecular formula C17H34 and a molecular weight of 238.46 g/mol. Its IUPAC name is ethane;pentane;1,3-xylene.

Molecular Properties

Compound Nameethane;pentane;1,3-xylene
PubChem CID142052962
Molecular FormulaC17H34
Molecular Weight238.46 g/mol
Exact Mass238.27
IUPAC Nameethane;pentane;1,3-xylene
SMILESCC.CC.CCCCC.Cc1cccc(C)c1
InChIInChI=1S/C8H10.C5H12.2C2H6/c1-7-4-3-5-8(2)6-7;1-3-5-4-2;2*1-2/h3-6H,1-2H3;3-5H2,1-2H3;2*1-2H3
InChIKeyHSYWDBWJFGBRRK-UHFFFAOYSA-N
XLogP6.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500238.46
LogP ≤ 56.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethane;pentane;1,3-xylene?
The IUPAC name of ethane;pentane;1,3-xylene (CID 142052962) is ethane;pentane;1,3-xylene.
What is the SMILES notation for ethane;pentane;1,3-xylene?
The canonical SMILES for ethane;pentane;1,3-xylene is CC.CC.CCCCC.Cc1cccc(C)c1.
What is the InChIKey of ethane;pentane;1,3-xylene?
The InChIKey is HSYWDBWJFGBRRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10.C5H12.2C2H6/c1-7-4-3-5-8(2)6-7;1-3-5-4-2;2*1-2/h3-6H,1-2H3;3-5H2,1-2H3;2*1-2H3.
What are the key properties of ethane;pentane;1,3-xylene?
ethane;pentane;1,3-xylene has a molecular weight of 238.46 g/mol, XLogP of 6.55, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;pentane;1,3-xylene is sourced from PubChem (CID 142052962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).