non-1-en-1-ol

C9H18O — CID 85445514

IUPACnon-1-en-1-ol
SMILESCCCCCCCC=CO
InChIInChI=1S/C9H18O/c1-2-3-4-5-6-7-8-9-10/h8-10H,2-7H2,1H3
InChIKeyXKBCNTPVQJGJPY-UHFFFAOYSA-N
MW142.24 g/mol
LogP3.42
Rot. Bonds6

About non-1-en-1-ol

non-1-en-1-ol (PubChem CID 85445514) has the molecular formula C9H18O and a molecular weight of 142.24 g/mol. Its IUPAC name is non-1-en-1-ol.

Molecular Properties

Compound Namenon-1-en-1-ol
PubChem CID85445514
Molecular FormulaC9H18O
Molecular Weight142.24 g/mol
Exact Mass142.14
IUPAC Namenon-1-en-1-ol
SMILESCCCCCCCC=CO
InChIInChI=1S/C9H18O/c1-2-3-4-5-6-7-8-9-10/h8-10H,2-7H2,1H3
InChIKeyXKBCNTPVQJGJPY-UHFFFAOYSA-N
XLogP3.42
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.24
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of non-1-en-1-ol?
The IUPAC name of non-1-en-1-ol (CID 85445514) is non-1-en-1-ol.
What is the SMILES notation for non-1-en-1-ol?
The canonical SMILES for non-1-en-1-ol is CCCCCCCC=CO.
What is the InChIKey of non-1-en-1-ol?
The InChIKey is XKBCNTPVQJGJPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O/c1-2-3-4-5-6-7-8-9-10/h8-10H,2-7H2,1H3.
What are the key properties of non-1-en-1-ol?
non-1-en-1-ol has a molecular weight of 142.24 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for non-1-en-1-ol is sourced from PubChem (CID 85445514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).