3-ethenyl-3-propylhex-5-en-2-ol

C11H20O — CID 20501675

IUPAC3-ethenyl-3-propylhex-5-en-2-ol
SMILESC=CCC(C=C)(CCC)C(C)O
InChIInChI=1S/C11H20O/c1-5-8-11(7-3,9-6-2)10(4)12/h5,7,10,12H,1,3,6,8-9H2,2,4H3
InChIKeyOARBXNXTTSFZLI-UHFFFAOYSA-N
MW168.28 g/mol
LogP2.92
Rot. Bonds6

About 3-ethenyl-3-propylhex-5-en-2-ol

3-ethenyl-3-propylhex-5-en-2-ol (PubChem CID 20501675) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is 3-ethenyl-3-propylhex-5-en-2-ol.

Molecular Properties

Compound Name3-ethenyl-3-propylhex-5-en-2-ol
PubChem CID20501675
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name3-ethenyl-3-propylhex-5-en-2-ol
SMILESC=CCC(C=C)(CCC)C(C)O
InChIInChI=1S/C11H20O/c1-5-8-11(7-3,9-6-2)10(4)12/h5,7,10,12H,1,3,6,8-9H2,2,4H3
InChIKeyOARBXNXTTSFZLI-UHFFFAOYSA-N
XLogP2.92
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-3-propylhex-5-en-2-ol?
The IUPAC name of 3-ethenyl-3-propylhex-5-en-2-ol (CID 20501675) is 3-ethenyl-3-propylhex-5-en-2-ol.
What is the SMILES notation for 3-ethenyl-3-propylhex-5-en-2-ol?
The canonical SMILES for 3-ethenyl-3-propylhex-5-en-2-ol is C=CCC(C=C)(CCC)C(C)O.
What is the InChIKey of 3-ethenyl-3-propylhex-5-en-2-ol?
The InChIKey is OARBXNXTTSFZLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O/c1-5-8-11(7-3,9-6-2)10(4)12/h5,7,10,12H,1,3,6,8-9H2,2,4H3.
What are the key properties of 3-ethenyl-3-propylhex-5-en-2-ol?
3-ethenyl-3-propylhex-5-en-2-ol has a molecular weight of 168.28 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-3-propylhex-5-en-2-ol is sourced from PubChem (CID 20501675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).