(Z)-5-butyl-6-ethyl-2-methyldodec-5-en-3,7-diyn-2-ol

C19H30O — CID 10356000

IUPAC(Z)-5-butyl-6-ethyl-2-methyldodec-5-en-3,7-diyn-2-ol
SMILESCCCCC#C/C(CC)=C(\C#CC(C)(C)O)CCCC
InChIInChI=1S/C19H30O/c1-6-9-11-12-14-17(8-3)18(13-10-7-2)15-16-19(4,5)20/h20H,6-11,13H2,1-5H3/b18-17-
InChIKeyBCHULTUMAVHQBI-ZCXUNETKSA-N
MW274.45 g/mol
LogP4.85
Rot. Bonds6

About (Z)-5-butyl-6-ethyl-2-methyldodec-5-en-3,7-diyn-2-ol

(Z)-5-butyl-6-ethyl-2-methyldodec-5-en-3,7-diyn-2-ol (PubChem CID 10356000) has the molecular formula C19H30O and a molecular weight of 274.45 g/mol. Its IUPAC name is (Z)-5-butyl-6-ethyl-2-methyldodec-5-en-3,7-diyn-2-ol.

Molecular Properties

Compound Name(Z)-5-butyl-6-ethyl-2-methyldodec-5-en-3,7-diyn-2-ol
PubChem CID10356000
Molecular FormulaC19H30O
Molecular Weight274.45 g/mol
Exact Mass274.23
IUPAC Name(Z)-5-butyl-6-ethyl-2-methyldodec-5-en-3,7-diyn-2-ol
SMILESCCCCC#C/C(CC)=C(\C#CC(C)(C)O)CCCC
InChIInChI=1S/C19H30O/c1-6-9-11-12-14-17(8-3)18(13-10-7-2)15-16-19(4,5)20/h20H,6-11,13H2,1-5H3/b18-17-
InChIKeyBCHULTUMAVHQBI-ZCXUNETKSA-N
XLogP4.85
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

8-butyl-7-hex-1-ynylpentadec-7-en-5,9-diyne
CID 135010412
7,8-dimethyltetradeca-5,9-diyne-7,8-diol
CID 102249526
undec-6-yn-5-one
CID 11240698
3-methylnon-4-yn-3-ol
CID 71352867
(3Z,5Z)-4,5,6-triethyl-3-iodododeca-3,5-dien-7-yne
CID 10981553
2-methyltrideca-3,5-diyn-2-ol
CID 101092007
(Z)-5,6-bis(prop-2-enyl)dodec-5-en-7-yne
CID 102258768
2,2-dimethylnon-4-yn-3-one
CID 10773384
2-methylhept-3-yn-2-ol
CID 566135
2-methyldec-5-yn-2-ol
CID 135039864
non-4-yn-3-one
CID 10887980
1-amino-2,3-dimethylnon-4-yne-2,3-diol
CID 141319209

Frequently Asked Questions

What is the IUPAC name of (Z)-5-butyl-6-ethyl-2-methyldodec-5-en-3,7-diyn-2-ol?
The IUPAC name of (Z)-5-butyl-6-ethyl-2-methyldodec-5-en-3,7-diyn-2-ol (CID 10356000) is (Z)-5-butyl-6-ethyl-2-methyldodec-5-en-3,7-diyn-2-ol.
What is the SMILES notation for (Z)-5-butyl-6-ethyl-2-methyldodec-5-en-3,7-diyn-2-ol?
The canonical SMILES for (Z)-5-butyl-6-ethyl-2-methyldodec-5-en-3,7-diyn-2-ol is CCCCC#C/C(CC)=C(\C#CC(C)(C)O)CCCC.
What is the InChIKey of (Z)-5-butyl-6-ethyl-2-methyldodec-5-en-3,7-diyn-2-ol?
The InChIKey is BCHULTUMAVHQBI-ZCXUNETKSA-N. The full InChI is InChI=1S/C19H30O/c1-6-9-11-12-14-17(8-3)18(13-10-7-2)15-16-19(4,5)20/h20H,6-11,13H2,1-5H3/b18-17-.
What are the key properties of (Z)-5-butyl-6-ethyl-2-methyldodec-5-en-3,7-diyn-2-ol?
(Z)-5-butyl-6-ethyl-2-methyldodec-5-en-3,7-diyn-2-ol has a molecular weight of 274.45 g/mol, XLogP of 4.85, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-butyl-6-ethyl-2-methyldodec-5-en-3,7-diyn-2-ol is sourced from PubChem (CID 10356000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).