1-ethynylcyclohexan-1-ol;molecular hydrogen

C8H14O — CID 173295922

IUPAC1-ethynylcyclohexan-1-ol;molecular hydrogen
SMILESC#CC1(O)CCCCC1.[H][H]
InChIInChI=1S/C8H12O.H2/c1-2-8(9)6-4-3-5-7-8;/h1,9H,3-7H2;1H
InChIKeyQEIJVBPRHVZSHT-UHFFFAOYSA-N
MW126.20 g/mol
LogP1.56
Rot. Bonds

About 1-ethynylcyclohexan-1-ol;molecular hydrogen

1-ethynylcyclohexan-1-ol;molecular hydrogen (PubChem CID 173295922) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is 1-ethynylcyclohexan-1-ol;molecular hydrogen.

Molecular Properties

Compound Name1-ethynylcyclohexan-1-ol;molecular hydrogen
PubChem CID173295922
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name1-ethynylcyclohexan-1-ol;molecular hydrogen
SMILESC#CC1(O)CCCCC1.[H][H]
InChIInChI=1S/C8H12O.H2/c1-2-8(9)6-4-3-5-7-8;/h1,9H,3-7H2;1H
InChIKeyQEIJVBPRHVZSHT-UHFFFAOYSA-N
XLogP1.56
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethynylcyclohexan-1-ol;molecular hydrogen?
The IUPAC name of 1-ethynylcyclohexan-1-ol;molecular hydrogen (CID 173295922) is 1-ethynylcyclohexan-1-ol;molecular hydrogen.
What is the SMILES notation for 1-ethynylcyclohexan-1-ol;molecular hydrogen?
The canonical SMILES for 1-ethynylcyclohexan-1-ol;molecular hydrogen is C#CC1(O)CCCCC1.[H][H].
What is the InChIKey of 1-ethynylcyclohexan-1-ol;molecular hydrogen?
The InChIKey is QEIJVBPRHVZSHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O.H2/c1-2-8(9)6-4-3-5-7-8;/h1,9H,3-7H2;1H.
What are the key properties of 1-ethynylcyclohexan-1-ol;molecular hydrogen?
1-ethynylcyclohexan-1-ol;molecular hydrogen has a molecular weight of 126.20 g/mol, XLogP of 1.56, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethynylcyclohexan-1-ol;molecular hydrogen is sourced from PubChem (CID 173295922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).