3-ethynylhex-5-en-1-ol

C8H12O — CID 15629667

IUPAC3-ethynylhex-5-en-1-ol
SMILESC#CC(CC=C)CCO
InChIInChI=1S/C8H12O/c1-3-5-8(4-2)6-7-9/h2-3,8-9H,1,5-7H2
InChIKeyDOJPROFRTKDWOT-UHFFFAOYSA-N
MW124.18 g/mol
LogP1.19
Rot. Bonds4

About 3-ethynylhex-5-en-1-ol

3-ethynylhex-5-en-1-ol (PubChem CID 15629667) has the molecular formula C8H12O and a molecular weight of 124.18 g/mol. Its IUPAC name is 3-ethynylhex-5-en-1-ol.

Molecular Properties

Compound Name3-ethynylhex-5-en-1-ol
PubChem CID15629667
Molecular FormulaC8H12O
Molecular Weight124.18 g/mol
Exact Mass124.09
IUPAC Name3-ethynylhex-5-en-1-ol
SMILESC#CC(CC=C)CCO
InChIInChI=1S/C8H12O/c1-3-5-8(4-2)6-7-9/h2-3,8-9H,1,5-7H2
InChIKeyDOJPROFRTKDWOT-UHFFFAOYSA-N
XLogP1.19
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.18
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-ethynylhex-5-en-1-ol?
The IUPAC name of 3-ethynylhex-5-en-1-ol (CID 15629667) is 3-ethynylhex-5-en-1-ol.
What is the SMILES notation for 3-ethynylhex-5-en-1-ol?
The canonical SMILES for 3-ethynylhex-5-en-1-ol is C#CC(CC=C)CCO.
What is the InChIKey of 3-ethynylhex-5-en-1-ol?
The InChIKey is DOJPROFRTKDWOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O/c1-3-5-8(4-2)6-7-9/h2-3,8-9H,1,5-7H2.
What are the key properties of 3-ethynylhex-5-en-1-ol?
3-ethynylhex-5-en-1-ol has a molecular weight of 124.18 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethynylhex-5-en-1-ol is sourced from PubChem (CID 15629667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).