octan-1-ol;1,2-xylene

C16H28O — CID 68579692

IUPACoctan-1-ol;1,2-xylene
SMILESCCCCCCCCO.Cc1ccccc1C
InChIInChI=1S/C8H18O.C8H10/c1-2-3-4-5-6-7-8-9;1-7-5-3-4-6-8(7)2/h9H,2-8H2,1H3;3-6H,1-2H3
InChIKeyRULXPMSQNGGSHP-UHFFFAOYSA-N
MW236.40 g/mol
LogP4.64
Rot. Bonds6

About octan-1-ol;1,2-xylene

octan-1-ol;1,2-xylene (PubChem CID 68579692) has the molecular formula C16H28O and a molecular weight of 236.40 g/mol. Its IUPAC name is octan-1-ol;1,2-xylene.

Molecular Properties

Compound Nameoctan-1-ol;1,2-xylene
PubChem CID68579692
Molecular FormulaC16H28O
Molecular Weight236.40 g/mol
Exact Mass236.21
IUPAC Nameoctan-1-ol;1,2-xylene
SMILESCCCCCCCCO.Cc1ccccc1C
InChIInChI=1S/C8H18O.C8H10/c1-2-3-4-5-6-7-8-9;1-7-5-3-4-6-8(7)2/h9H,2-8H2,1H3;3-6H,1-2H3
InChIKeyRULXPMSQNGGSHP-UHFFFAOYSA-N
XLogP4.64
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of octan-1-ol;1,2-xylene?
The IUPAC name of octan-1-ol;1,2-xylene (CID 68579692) is octan-1-ol;1,2-xylene.
What is the SMILES notation for octan-1-ol;1,2-xylene?
The canonical SMILES for octan-1-ol;1,2-xylene is CCCCCCCCO.Cc1ccccc1C.
What is the InChIKey of octan-1-ol;1,2-xylene?
The InChIKey is RULXPMSQNGGSHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O.C8H10/c1-2-3-4-5-6-7-8-9;1-7-5-3-4-6-8(7)2/h9H,2-8H2,1H3;3-6H,1-2H3.
What are the key properties of octan-1-ol;1,2-xylene?
octan-1-ol;1,2-xylene has a molecular weight of 236.40 g/mol, XLogP of 4.64, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for octan-1-ol;1,2-xylene is sourced from PubChem (CID 68579692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).