dodeca-7,8-dien-5-yn-4-ol

C12H18O — CID 13028937

IUPACdodeca-7,8-dien-5-yn-4-ol
SMILESCCCC=C=CC#CC(O)CCC
InChIInChI=1S/C12H18O/c1-3-5-6-7-8-9-11-12(13)10-4-2/h6,8,12-13H,3-5,10H2,1-2H3
InChIKeySCAGXDLKPQLESX-UHFFFAOYSA-N
MW178.28 g/mol
LogP2.66
Rot. Bonds4

About dodeca-7,8-dien-5-yn-4-ol

dodeca-7,8-dien-5-yn-4-ol (PubChem CID 13028937) has the molecular formula C12H18O and a molecular weight of 178.28 g/mol. Its IUPAC name is dodeca-7,8-dien-5-yn-4-ol.

Molecular Properties

Compound Namedodeca-7,8-dien-5-yn-4-ol
PubChem CID13028937
Molecular FormulaC12H18O
Molecular Weight178.28 g/mol
Exact Mass178.14
IUPAC Namedodeca-7,8-dien-5-yn-4-ol
SMILESCCCC=C=CC#CC(O)CCC
InChIInChI=1S/C12H18O/c1-3-5-6-7-8-9-11-12(13)10-4-2/h6,8,12-13H,3-5,10H2,1-2H3
InChIKeySCAGXDLKPQLESX-UHFFFAOYSA-N
XLogP2.66
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6,7-Nonadien-2-ol
CID 86125656
6,10-Dodecadien-1-yn-3-ol
CID 90973974
Octa-6,7-dien-3-ol
CID 11018878
Hepta-5,6-dien-2-ol
CID 11051609
(4R)-undec-1-en-5-yn-4-ol
CID 11159528
(5R)-non-1-en-6-yn-5-ol
CID 11309547
Non-8-en-5-yn-4-ol
CID 11804829
Deca-4,5-dien-1-OL
CID 13641078
5-Methoxynon-8-en-3-yn-1-ol
CID 71418969
6-Methoxydec-9-en-4-yn-1-ol
CID 71418972
(4R)-dec-1-en-5-yn-4-ol
CID 102234089
8-Methyl-8-nonen-5-yn-4-ol
CID 129754529

Frequently Asked Questions

What is the IUPAC name of dodeca-7,8-dien-5-yn-4-ol?
The IUPAC name of dodeca-7,8-dien-5-yn-4-ol (CID 13028937) is dodeca-7,8-dien-5-yn-4-ol.
What is the SMILES notation for dodeca-7,8-dien-5-yn-4-ol?
The canonical SMILES for dodeca-7,8-dien-5-yn-4-ol is CCCC=C=CC#CC(O)CCC.
What is the InChIKey of dodeca-7,8-dien-5-yn-4-ol?
The InChIKey is SCAGXDLKPQLESX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O/c1-3-5-6-7-8-9-11-12(13)10-4-2/h6,8,12-13H,3-5,10H2,1-2H3.
What are the key properties of dodeca-7,8-dien-5-yn-4-ol?
dodeca-7,8-dien-5-yn-4-ol has a molecular weight of 178.28 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dodeca-7,8-dien-5-yn-4-ol is sourced from PubChem (CID 13028937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).