1-ethynylcyclohex-2-en-1-ol

C8H10O — CID 10820512

IUPAC1-ethynylcyclohex-2-en-1-ol
SMILESC#CC1(O)C=CCCC1
InChIInChI=1S/C8H10O/c1-2-8(9)6-4-3-5-7-8/h1,4,6,9H,3,5,7H2
InChIKeyMAWMRWVKCHBDAF-UHFFFAOYSA-N
MW122.17 g/mol
LogP1.09
Rot. Bonds

About 1-ethynylcyclohex-2-en-1-ol

1-ethynylcyclohex-2-en-1-ol (PubChem CID 10820512) has the molecular formula C8H10O and a molecular weight of 122.17 g/mol. Its IUPAC name is 1-ethynylcyclohex-2-en-1-ol.

Molecular Properties

Compound Name1-ethynylcyclohex-2-en-1-ol
PubChem CID10820512
Molecular FormulaC8H10O
Molecular Weight122.17 g/mol
Exact Mass122.07
IUPAC Name1-ethynylcyclohex-2-en-1-ol
SMILESC#CC1(O)C=CCCC1
InChIInChI=1S/C8H10O/c1-2-8(9)6-4-3-5-7-8/h1,4,6,9H,3,5,7H2
InChIKeyMAWMRWVKCHBDAF-UHFFFAOYSA-N
XLogP1.09
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.17
LogP ≤ 51.09
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 1-ethynylcyclohex-2-en-1-ol?
The IUPAC name of 1-ethynylcyclohex-2-en-1-ol (CID 10820512) is 1-ethynylcyclohex-2-en-1-ol.
What is the SMILES notation for 1-ethynylcyclohex-2-en-1-ol?
The canonical SMILES for 1-ethynylcyclohex-2-en-1-ol is C#CC1(O)C=CCCC1.
What is the InChIKey of 1-ethynylcyclohex-2-en-1-ol?
The InChIKey is MAWMRWVKCHBDAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O/c1-2-8(9)6-4-3-5-7-8/h1,4,6,9H,3,5,7H2.
What are the key properties of 1-ethynylcyclohex-2-en-1-ol?
1-ethynylcyclohex-2-en-1-ol has a molecular weight of 122.17 g/mol, XLogP of 1.09, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethynylcyclohex-2-en-1-ol is sourced from PubChem (CID 10820512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).