non-2-en-4-ol

C9H18O — CID 71420876

IUPACnon-2-en-4-ol
SMILESCC=CC(O)CCCCC
InChIInChI=1S/C9H18O/c1-3-5-6-8-9(10)7-4-2/h4,7,9-10H,3,5-6,8H2,1-2H3
InChIKeyZIWXVGHUDKNNSH-UHFFFAOYSA-N
MW142.24 g/mol
LogP2.50
Rot. Bonds5

About non-2-en-4-ol

non-2-en-4-ol (PubChem CID 71420876) has the molecular formula C9H18O and a molecular weight of 142.24 g/mol. Its IUPAC name is non-2-en-4-ol.

Molecular Properties

Compound Namenon-2-en-4-ol
PubChem CID71420876
Molecular FormulaC9H18O
Molecular Weight142.24 g/mol
Exact Mass142.14
IUPAC Namenon-2-en-4-ol
SMILESCC=CC(O)CCCCC
InChIInChI=1S/C9H18O/c1-3-5-6-8-9(10)7-4-2/h4,7,9-10H,3,5-6,8H2,1-2H3
InChIKeyZIWXVGHUDKNNSH-UHFFFAOYSA-N
XLogP2.50
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.24
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-Octen-3-Ol
CID 18827
6-Nonen-1-ol, (6Z)-
CID 5362792
1-Nonen-3-ol
CID 89560
2-Nonen-1-ol, (2E)-
CID 5364941
2-Octen-4-ol, (2E)-
CID 5366203
2-Nonen-1-ol, (2Z)-
CID 5365027
2-Cyclohexen-1-OL
CID 13198
1-Decen-3-ol
CID 170977
3-Octen-2-ol
CID 42538
(R)-oct-1-en-3-ol
CID 6992244
6-Nonen-1-ol, (6E)-
CID 5362811
Undeca-1,5-dien-3-ol
CID 53981988

Frequently Asked Questions

What is the IUPAC name of non-2-en-4-ol?
The IUPAC name of non-2-en-4-ol (CID 71420876) is non-2-en-4-ol.
What is the SMILES notation for non-2-en-4-ol?
The canonical SMILES for non-2-en-4-ol is CC=CC(O)CCCCC.
What is the InChIKey of non-2-en-4-ol?
The InChIKey is ZIWXVGHUDKNNSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O/c1-3-5-6-8-9(10)7-4-2/h4,7,9-10H,3,5-6,8H2,1-2H3.
What are the key properties of non-2-en-4-ol?
non-2-en-4-ol has a molecular weight of 142.24 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for non-2-en-4-ol is sourced from PubChem (CID 71420876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).