(2Z)-6-butyl-3,8,9-trimethyldeca-2,6,7-trien-4-yne-1,9-diol

C17H26O2 — CID 11010793

IUPAC(2Z)-6-butyl-3,8,9-trimethyldeca-2,6,7-trien-4-yne-1,9-diol
SMILESCCCCC(=C=C(C)C(C)(C)O)C#C/C(C)=C\CO
InChIInChI=1S/C17H26O2/c1-6-7-8-16(10-9-14(2)11-12-18)13-15(3)17(4,5)19/h11,18-19H,6-8,12H2,1-5H3/b14-11-
InChIKeyUCYFTBKBVXUTQZ-KAMYIIQDSA-N
MW262.39 g/mol
LogP3.36
Rot. Bonds5

About (2Z)-6-butyl-3,8,9-trimethyldeca-2,6,7-trien-4-yne-1,9-diol

(2Z)-6-butyl-3,8,9-trimethyldeca-2,6,7-trien-4-yne-1,9-diol (PubChem CID 11010793) has the molecular formula C17H26O2 and a molecular weight of 262.39 g/mol. Its IUPAC name is (2Z)-6-butyl-3,8,9-trimethyldeca-2,6,7-trien-4-yne-1,9-diol.

Molecular Properties

Compound Name(2Z)-6-butyl-3,8,9-trimethyldeca-2,6,7-trien-4-yne-1,9-diol
PubChem CID11010793
Molecular FormulaC17H26O2
Molecular Weight262.39 g/mol
Exact Mass262.19
IUPAC Name(2Z)-6-butyl-3,8,9-trimethyldeca-2,6,7-trien-4-yne-1,9-diol
SMILESCCCCC(=C=C(C)C(C)(C)O)C#C/C(C)=C\CO
InChIInChI=1S/C17H26O2/c1-6-7-8-16(10-9-14(2)11-12-18)13-15(3)17(4,5)19/h11,18-19H,6-8,12H2,1-5H3/b14-11-
InChIKeyUCYFTBKBVXUTQZ-KAMYIIQDSA-N
XLogP3.36
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.39
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2Z)-6-butyl-3,8,9-trimethyldeca-2,6,7-trien-4-yne-1,9-diol with MolForge

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Related Compounds

4-Butyl-6,7-dimethylocta-4,5-dien-2-yne-1,7-diol
CID 134897991
6-Ethyl-3-methyl-2-octen-4-yne-1,6-diol
CID 3019832
6-Ethyl-3-methyloct-2-en-4-yne-1,6-diol
CID 6365951
2,6-Dimethyloct-2-en-7-yne-1,6-diol
CID 4412290
(2E)-2,6-dimethyl-2-octen-7-yne-1,6-diol
CID 6103523
(2E,6E)-2,6,10-trimethyldodeca-2,6-dien-11-yne-1,10-diol
CID 140367927
(E)-7-methyl-5-[(E)-non-1-en-3-ynyl]oct-5-en-3-yne-1,7-diol
CID 15860151
(3E,6E)-5-(ethoxyethynyl)-2,4,6,8-tetramethylnona-3,6-dien-5-ol
CID 66524676
(E,5R,6R)-2,5,7-trimethylnon-7-en-3-yne-2,6-diol
CID 71534139
(E,6R)-2,6-dimethyloct-2-en-7-yne-1,6-diol
CID 92840163
(E,6S)-2,6-dimethyloct-2-en-7-yne-1,6-diol
CID 92840164
(5E)-5-pent-4-enylidenedodec-6-yne-4,9-diol
CID 101854237

Frequently Asked Questions

What is the IUPAC name of (2Z)-6-butyl-3,8,9-trimethyldeca-2,6,7-trien-4-yne-1,9-diol?
The IUPAC name of (2Z)-6-butyl-3,8,9-trimethyldeca-2,6,7-trien-4-yne-1,9-diol (CID 11010793) is (2Z)-6-butyl-3,8,9-trimethyldeca-2,6,7-trien-4-yne-1,9-diol.
What is the SMILES notation for (2Z)-6-butyl-3,8,9-trimethyldeca-2,6,7-trien-4-yne-1,9-diol?
The canonical SMILES for (2Z)-6-butyl-3,8,9-trimethyldeca-2,6,7-trien-4-yne-1,9-diol is CCCCC(=C=C(C)C(C)(C)O)C#C/C(C)=C\CO.
What is the InChIKey of (2Z)-6-butyl-3,8,9-trimethyldeca-2,6,7-trien-4-yne-1,9-diol?
The InChIKey is UCYFTBKBVXUTQZ-KAMYIIQDSA-N. The full InChI is InChI=1S/C17H26O2/c1-6-7-8-16(10-9-14(2)11-12-18)13-15(3)17(4,5)19/h11,18-19H,6-8,12H2,1-5H3/b14-11-.
What are the key properties of (2Z)-6-butyl-3,8,9-trimethyldeca-2,6,7-trien-4-yne-1,9-diol?
(2Z)-6-butyl-3,8,9-trimethyldeca-2,6,7-trien-4-yne-1,9-diol has a molecular weight of 262.39 g/mol, XLogP of 3.36, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-6-butyl-3,8,9-trimethyldeca-2,6,7-trien-4-yne-1,9-diol is sourced from PubChem (CID 11010793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).