2-[2-(1-hydroxycyclohexyl)ethynyl]cyclohept-2-en-1-ol

C15H22O2 — CID 135016350

IUPAC2-[2-(1-hydroxycyclohexyl)ethynyl]cyclohept-2-en-1-ol
SMILESOC1CCCCC=C1C#CC1(O)CCCCC1
InChIInChI=1S/C15H22O2/c16-14-8-4-1-3-7-13(14)9-12-15(17)10-5-2-6-11-15/h7,14,16-17H,1-6,8,10-11H2
InChIKeyLWMCPVRXNJVYQN-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.55
Rot. Bonds

About 2-[2-(1-hydroxycyclohexyl)ethynyl]cyclohept-2-en-1-ol

2-[2-(1-hydroxycyclohexyl)ethynyl]cyclohept-2-en-1-ol (PubChem CID 135016350) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-[2-(1-hydroxycyclohexyl)ethynyl]cyclohept-2-en-1-ol.

Molecular Properties

Compound Name2-[2-(1-hydroxycyclohexyl)ethynyl]cyclohept-2-en-1-ol
PubChem CID135016350
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name2-[2-(1-hydroxycyclohexyl)ethynyl]cyclohept-2-en-1-ol
SMILESOC1CCCCC=C1C#CC1(O)CCCCC1
InChIInChI=1S/C15H22O2/c16-14-8-4-1-3-7-13(14)9-12-15(17)10-5-2-6-11-15/h7,14,16-17H,1-6,8,10-11H2
InChIKeyLWMCPVRXNJVYQN-UHFFFAOYSA-N
XLogP2.55
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 2-[2-(1-hydroxycyclohexyl)ethynyl]cyclohept-2-en-1-ol?
The IUPAC name of 2-[2-(1-hydroxycyclohexyl)ethynyl]cyclohept-2-en-1-ol (CID 135016350) is 2-[2-(1-hydroxycyclohexyl)ethynyl]cyclohept-2-en-1-ol.
What is the SMILES notation for 2-[2-(1-hydroxycyclohexyl)ethynyl]cyclohept-2-en-1-ol?
The canonical SMILES for 2-[2-(1-hydroxycyclohexyl)ethynyl]cyclohept-2-en-1-ol is OC1CCCCC=C1C#CC1(O)CCCCC1.
What is the InChIKey of 2-[2-(1-hydroxycyclohexyl)ethynyl]cyclohept-2-en-1-ol?
The InChIKey is LWMCPVRXNJVYQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c16-14-8-4-1-3-7-13(14)9-12-15(17)10-5-2-6-11-15/h7,14,16-17H,1-6,8,10-11H2.
What are the key properties of 2-[2-(1-hydroxycyclohexyl)ethynyl]cyclohept-2-en-1-ol?
2-[2-(1-hydroxycyclohexyl)ethynyl]cyclohept-2-en-1-ol has a molecular weight of 234.34 g/mol, XLogP of 2.55, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-hydroxycyclohexyl)ethynyl]cyclohept-2-en-1-ol is sourced from PubChem (CID 135016350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).