non-5-en-2-yn-1-ol

C9H14O — CID 57194533

IUPACnon-5-en-2-yn-1-ol
SMILESCCCC=CCC#CCO
InChIInChI=1S/C9H14O/c1-2-3-4-5-6-7-8-9-10/h4-5,10H,2-3,6,9H2,1H3
InChIKeyVQRJBYPXPJTYRK-UHFFFAOYSA-N
MW138.21 g/mol
LogP1.73
Rot. Bonds3

About non-5-en-2-yn-1-ol

non-5-en-2-yn-1-ol (PubChem CID 57194533) has the molecular formula C9H14O and a molecular weight of 138.21 g/mol. Its IUPAC name is non-5-en-2-yn-1-ol.

Molecular Properties

Compound Namenon-5-en-2-yn-1-ol
PubChem CID57194533
Molecular FormulaC9H14O
Molecular Weight138.21 g/mol
Exact Mass138.10
IUPAC Namenon-5-en-2-yn-1-ol
SMILESCCCC=CCC#CCO
InChIInChI=1S/C9H14O/c1-2-3-4-5-6-7-8-9-10/h4-5,10H,2-3,6,9H2,1H3
InChIKeyVQRJBYPXPJTYRK-UHFFFAOYSA-N
XLogP1.73
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.73
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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Related Compounds

(Z)-tetradec-5-en-2-yn-1-ol
CID 13044974
ethane;undec-7-en-1,4-diyne
CID 162284206
(E)-dec-6-en-2,4-diyn-1-ol
CID 102504550
(4Z,8E)-dodeca-4,8-diene
CID 12576906
ethane;(E)-oct-4-ene
CID 142055407
(4E,8E)-dodeca-4,8-diene
CID 12576905
(E)-hex-2-en-1-ol;hydrochloride
CID 141009996
(E)-tridec-4-en-7-yn-1-ol
CID 6437422
(9E)-trideca-1,9-dien-4,6-diyn-3-ol
CID 10726292
(3E,6E,9E)-trideca-3,6,9-trienenitrile
CID 101282411
(2E,5E)-nona-2,5-dien-1-ol
CID 12773963
(4Z,7Z,10Z,13Z)-heptadeca-4,7,10,13-tetraene
CID 10473036

Frequently Asked Questions

What is the IUPAC name of non-5-en-2-yn-1-ol?
The IUPAC name of non-5-en-2-yn-1-ol (CID 57194533) is non-5-en-2-yn-1-ol.
What is the SMILES notation for non-5-en-2-yn-1-ol?
The canonical SMILES for non-5-en-2-yn-1-ol is CCCC=CCC#CCO.
What is the InChIKey of non-5-en-2-yn-1-ol?
The InChIKey is VQRJBYPXPJTYRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O/c1-2-3-4-5-6-7-8-9-10/h4-5,10H,2-3,6,9H2,1H3.
What are the key properties of non-5-en-2-yn-1-ol?
non-5-en-2-yn-1-ol has a molecular weight of 138.21 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for non-5-en-2-yn-1-ol is sourced from PubChem (CID 57194533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).