2-but-3-enyl-2-ethylhex-5-en-1-ol

C12H22O — CID 159922926

IUPAC2-but-3-enyl-2-ethylhex-5-en-1-ol
SMILESC=CCCC(CC)(CO)CCC=C
InChIInChI=1S/C12H22O/c1-4-7-9-12(6-3,11-13)10-8-5-2/h4-5,13H,1-2,6-11H2,3H3
InChIKeyNYQIRFSILGHZFD-UHFFFAOYSA-N
MW182.31 g/mol
LogP3.31
Rot. Bonds8

About 2-but-3-enyl-2-ethylhex-5-en-1-ol

2-but-3-enyl-2-ethylhex-5-en-1-ol (PubChem CID 159922926) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is 2-but-3-enyl-2-ethylhex-5-en-1-ol.

Molecular Properties

Compound Name2-but-3-enyl-2-ethylhex-5-en-1-ol
PubChem CID159922926
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name2-but-3-enyl-2-ethylhex-5-en-1-ol
SMILESC=CCCC(CC)(CO)CCC=C
InChIInChI=1S/C12H22O/c1-4-7-9-12(6-3,11-13)10-8-5-2/h4-5,13H,1-2,6-11H2,3H3
InChIKeyNYQIRFSILGHZFD-UHFFFAOYSA-N
XLogP3.31
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 53.31
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 2-but-3-enyl-2-ethylhex-5-en-1-ol?
The IUPAC name of 2-but-3-enyl-2-ethylhex-5-en-1-ol (CID 159922926) is 2-but-3-enyl-2-ethylhex-5-en-1-ol.
What is the SMILES notation for 2-but-3-enyl-2-ethylhex-5-en-1-ol?
The canonical SMILES for 2-but-3-enyl-2-ethylhex-5-en-1-ol is C=CCCC(CC)(CO)CCC=C.
What is the InChIKey of 2-but-3-enyl-2-ethylhex-5-en-1-ol?
The InChIKey is NYQIRFSILGHZFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O/c1-4-7-9-12(6-3,11-13)10-8-5-2/h4-5,13H,1-2,6-11H2,3H3.
What are the key properties of 2-but-3-enyl-2-ethylhex-5-en-1-ol?
2-but-3-enyl-2-ethylhex-5-en-1-ol has a molecular weight of 182.31 g/mol, XLogP of 3.31, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-3-enyl-2-ethylhex-5-en-1-ol is sourced from PubChem (CID 159922926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).