(4Z)-4-butyl-5-ethyl-8-methylnona-4,6,7-trien-2-yn-1-ol

C16H24O — CID 10443962

IUPAC(4Z)-4-butyl-5-ethyl-8-methylnona-4,6,7-trien-2-yn-1-ol
SMILESCCCC/C(C#CCO)=C(/C=C=C(C)C)CC
InChIInChI=1S/C16H24O/c1-5-7-9-16(10-8-13-17)15(6-2)12-11-14(3)4/h12,17H,5-7,9,13H2,1-4H3/b16-15-
InChIKeyNVMNQGCSBFIROL-NXVVXOECSA-N
MW232.37 g/mol
LogP4.00
Rot. Bonds5

About (4Z)-4-butyl-5-ethyl-8-methylnona-4,6,7-trien-2-yn-1-ol

(4Z)-4-butyl-5-ethyl-8-methylnona-4,6,7-trien-2-yn-1-ol (PubChem CID 10443962) has the molecular formula C16H24O and a molecular weight of 232.37 g/mol. Its IUPAC name is (4Z)-4-butyl-5-ethyl-8-methylnona-4,6,7-trien-2-yn-1-ol.

Molecular Properties

Compound Name(4Z)-4-butyl-5-ethyl-8-methylnona-4,6,7-trien-2-yn-1-ol
PubChem CID10443962
Molecular FormulaC16H24O
Molecular Weight232.37 g/mol
Exact Mass232.18
IUPAC Name(4Z)-4-butyl-5-ethyl-8-methylnona-4,6,7-trien-2-yn-1-ol
SMILESCCCC/C(C#CCO)=C(/C=C=C(C)C)CC
InChIInChI=1S/C16H24O/c1-5-7-9-16(10-8-13-17)15(6-2)12-11-14(3)4/h12,17H,5-7,9,13H2,1-4H3/b16-15-
InChIKeyNVMNQGCSBFIROL-NXVVXOECSA-N
XLogP4.00
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (4Z)-4-butyl-5-ethyl-8-methylnona-4,6,7-trien-2-yn-1-ol with MolForge

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Related Compounds

(5Z)-5-ethyl-6-iodo-2-methyldeca-2,3,5-triene
CID 10402756
4-methyloct-3-ene
CID 85445337
8-butyl-7-hex-1-ynylpentadec-7-en-5,9-diyne
CID 135010412
5-(2-methylprop-1-enylidene)non-3-yn-1-ol
CID 11063264
(Z)-5-butyl-6-ethyl-2-methyldodec-5-en-3,7-diyn-2-ol
CID 10356000
4-methylidenehex-2-yn-1-ol
CID 86092804
(Z)-5,6-bis(prop-2-enyl)dodec-5-en-7-yne
CID 102258768
(Z)-3-methyldec-3-en-5-yne
CID 134977329
hexadec-2-yn-1-ol
CID 11010038
octadec-2-yn-1-ol
CID 2825194
(E)-5-methylnon-4-enal
CID 101111838
(Z,2Z)-2-butan-2-ylidene-4-methyloct-3-enenitrile
CID 138643821

Frequently Asked Questions

What is the IUPAC name of (4Z)-4-butyl-5-ethyl-8-methylnona-4,6,7-trien-2-yn-1-ol?
The IUPAC name of (4Z)-4-butyl-5-ethyl-8-methylnona-4,6,7-trien-2-yn-1-ol (CID 10443962) is (4Z)-4-butyl-5-ethyl-8-methylnona-4,6,7-trien-2-yn-1-ol.
What is the SMILES notation for (4Z)-4-butyl-5-ethyl-8-methylnona-4,6,7-trien-2-yn-1-ol?
The canonical SMILES for (4Z)-4-butyl-5-ethyl-8-methylnona-4,6,7-trien-2-yn-1-ol is CCCC/C(C#CCO)=C(/C=C=C(C)C)CC.
What is the InChIKey of (4Z)-4-butyl-5-ethyl-8-methylnona-4,6,7-trien-2-yn-1-ol?
The InChIKey is NVMNQGCSBFIROL-NXVVXOECSA-N. The full InChI is InChI=1S/C16H24O/c1-5-7-9-16(10-8-13-17)15(6-2)12-11-14(3)4/h12,17H,5-7,9,13H2,1-4H3/b16-15-.
What are the key properties of (4Z)-4-butyl-5-ethyl-8-methylnona-4,6,7-trien-2-yn-1-ol?
(4Z)-4-butyl-5-ethyl-8-methylnona-4,6,7-trien-2-yn-1-ol has a molecular weight of 232.37 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-butyl-5-ethyl-8-methylnona-4,6,7-trien-2-yn-1-ol is sourced from PubChem (CID 10443962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).