9-bicyclo[6.1.0]non-2-ynylmethanol

C10H14O — CID 90000309

IUPAC9-bicyclo[6.1.0]non-2-ynylmethanol
SMILESOCC1C2C#CCCCCC21
InChIInChI=1S/C10H14O/c11-7-10-8-5-3-1-2-4-6-9(8)10/h8-11H,1-3,5,7H2
InChIKeyHVKOQQBEIHHZLE-UHFFFAOYSA-N
MW150.22 g/mol
LogP1.42
Rot. Bonds1

About 9-bicyclo[6.1.0]non-2-ynylmethanol

9-bicyclo[6.1.0]non-2-ynylmethanol (PubChem CID 90000309) has the molecular formula C10H14O and a molecular weight of 150.22 g/mol. Its IUPAC name is 9-bicyclo[6.1.0]non-2-ynylmethanol.

Molecular Properties

Compound Name9-bicyclo[6.1.0]non-2-ynylmethanol
PubChem CID90000309
Molecular FormulaC10H14O
Molecular Weight150.22 g/mol
Exact Mass150.10
IUPAC Name9-bicyclo[6.1.0]non-2-ynylmethanol
SMILESOCC1C2C#CCCCCC21
InChIInChI=1S/C10H14O/c11-7-10-8-5-3-1-2-4-6-9(8)10/h8-11H,1-3,5,7H2
InChIKeyHVKOQQBEIHHZLE-UHFFFAOYSA-N
XLogP1.42
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 51.42
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 9-bicyclo[6.1.0]non-2-ynylmethanol?
The IUPAC name of 9-bicyclo[6.1.0]non-2-ynylmethanol (CID 90000309) is 9-bicyclo[6.1.0]non-2-ynylmethanol.
What is the SMILES notation for 9-bicyclo[6.1.0]non-2-ynylmethanol?
The canonical SMILES for 9-bicyclo[6.1.0]non-2-ynylmethanol is OCC1C2C#CCCCCC21.
What is the InChIKey of 9-bicyclo[6.1.0]non-2-ynylmethanol?
The InChIKey is HVKOQQBEIHHZLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O/c11-7-10-8-5-3-1-2-4-6-9(8)10/h8-11H,1-3,5,7H2.
What are the key properties of 9-bicyclo[6.1.0]non-2-ynylmethanol?
9-bicyclo[6.1.0]non-2-ynylmethanol has a molecular weight of 150.22 g/mol, XLogP of 1.42, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-bicyclo[6.1.0]non-2-ynylmethanol is sourced from PubChem (CID 90000309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).