carbon monoxide;pent-4-en-1-ol

C6H10O2 — CID 139249346

IUPACcarbon monoxide;pent-4-en-1-ol
SMILESC=CCCCO.[C-]#[O+]
InChIInChI=1S/C5H10O.CO/c1-2-3-4-5-6;1-2/h2,6H,1,3-5H2;
InChIKeyKEXGEJRZSYNKCA-UHFFFAOYSA-N
MW114.14 g/mol
LogP0.91
Rot. Bonds3

About carbon monoxide;pent-4-en-1-ol

carbon monoxide;pent-4-en-1-ol (PubChem CID 139249346) has the molecular formula C6H10O2 and a molecular weight of 114.14 g/mol. Its IUPAC name is carbon monoxide;pent-4-en-1-ol.

Molecular Properties

Compound Namecarbon monoxide;pent-4-en-1-ol
PubChem CID139249346
Molecular FormulaC6H10O2
Molecular Weight114.14 g/mol
Exact Mass114.07
IUPAC Namecarbon monoxide;pent-4-en-1-ol
SMILESC=CCCCO.[C-]#[O+]
InChIInChI=1S/C5H10O.CO/c1-2-3-4-5-6;1-2/h2,6H,1,3-5H2;
InChIKeyKEXGEJRZSYNKCA-UHFFFAOYSA-N
XLogP0.91
TPSA40.13 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.14
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of carbon monoxide;pent-4-en-1-ol?
The IUPAC name of carbon monoxide;pent-4-en-1-ol (CID 139249346) is carbon monoxide;pent-4-en-1-ol.
What is the SMILES notation for carbon monoxide;pent-4-en-1-ol?
The canonical SMILES for carbon monoxide;pent-4-en-1-ol is C=CCCCO.[C-]#[O+].
What is the InChIKey of carbon monoxide;pent-4-en-1-ol?
The InChIKey is KEXGEJRZSYNKCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O.CO/c1-2-3-4-5-6;1-2/h2,6H,1,3-5H2;.
What are the key properties of carbon monoxide;pent-4-en-1-ol?
carbon monoxide;pent-4-en-1-ol has a molecular weight of 114.14 g/mol, XLogP of 0.91, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;pent-4-en-1-ol is sourced from PubChem (CID 139249346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).