5-(3-cyclopentylprop-1-ynyl)nonan-5-ol

C17H30O — CID 24977979

IUPAC5-(3-cyclopentylprop-1-ynyl)nonan-5-ol
SMILESCCCCC(O)(C#CCC1CCCC1)CCCC
InChIInChI=1S/C17H30O/c1-3-5-13-17(18,14-6-4-2)15-9-12-16-10-7-8-11-16/h16,18H,3-8,10-14H2,1-2H3
InChIKeySNXVURABODEFHN-UHFFFAOYSA-N
MW250.43 g/mol
LogP4.68
Rot. Bonds7

About 5-(3-cyclopentylprop-1-ynyl)nonan-5-ol

5-(3-cyclopentylprop-1-ynyl)nonan-5-ol (PubChem CID 24977979) has the molecular formula C17H30O and a molecular weight of 250.43 g/mol. Its IUPAC name is 5-(3-cyclopentylprop-1-ynyl)nonan-5-ol.

Molecular Properties

Compound Name5-(3-cyclopentylprop-1-ynyl)nonan-5-ol
PubChem CID24977979
Molecular FormulaC17H30O
Molecular Weight250.43 g/mol
Exact Mass250.23
IUPAC Name5-(3-cyclopentylprop-1-ynyl)nonan-5-ol
SMILESCCCCC(O)(C#CCC1CCCC1)CCCC
InChIInChI=1S/C17H30O/c1-3-5-13-17(18,14-6-4-2)15-9-12-16-10-7-8-11-16/h16,18H,3-8,10-14H2,1-2H3
InChIKeySNXVURABODEFHN-UHFFFAOYSA-N
XLogP4.68
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.43
LogP ≤ 54.68
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 5-(3-cyclopentylprop-1-ynyl)nonan-5-ol?
The IUPAC name of 5-(3-cyclopentylprop-1-ynyl)nonan-5-ol (CID 24977979) is 5-(3-cyclopentylprop-1-ynyl)nonan-5-ol.
What is the SMILES notation for 5-(3-cyclopentylprop-1-ynyl)nonan-5-ol?
The canonical SMILES for 5-(3-cyclopentylprop-1-ynyl)nonan-5-ol is CCCCC(O)(C#CCC1CCCC1)CCCC.
What is the InChIKey of 5-(3-cyclopentylprop-1-ynyl)nonan-5-ol?
The InChIKey is SNXVURABODEFHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O/c1-3-5-13-17(18,14-6-4-2)15-9-12-16-10-7-8-11-16/h16,18H,3-8,10-14H2,1-2H3.
What are the key properties of 5-(3-cyclopentylprop-1-ynyl)nonan-5-ol?
5-(3-cyclopentylprop-1-ynyl)nonan-5-ol has a molecular weight of 250.43 g/mol, XLogP of 4.68, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-cyclopentylprop-1-ynyl)nonan-5-ol is sourced from PubChem (CID 24977979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).