(6E,10E)-6,10-dimethyl-12-(oxan-2-yloxy)dodeca-6,10-dien-1-yn-3-ol

C19H30O3 — CID 15726373

IUPAC(6E,10E)-6,10-dimethyl-12-(oxan-2-yloxy)dodeca-6,10-dien-1-yn-3-ol
SMILESC#CC(O)CC/C(C)=C/CC/C(C)=C/COC1CCCCO1
InChIInChI=1S/C19H30O3/c1-4-18(20)12-11-16(2)8-7-9-17(3)13-15-22-19-10-5-6-14-21-19/h1,8,13,18-20H,5-7,9-12,14-15H2,2-3H3/b16-8+,17-13+
InChIKeyHURVXTSCJZTTOZ-IUIJUMGXSA-N
MW306.45 g/mol
LogP3.98
Rot. Bonds9

About (6E,10E)-6,10-dimethyl-12-(oxan-2-yloxy)dodeca-6,10-dien-1-yn-3-ol

(6E,10E)-6,10-dimethyl-12-(oxan-2-yloxy)dodeca-6,10-dien-1-yn-3-ol (PubChem CID 15726373) has the molecular formula C19H30O3 and a molecular weight of 306.45 g/mol. Its IUPAC name is (6E,10E)-6,10-dimethyl-12-(oxan-2-yloxy)dodeca-6,10-dien-1-yn-3-ol.

Molecular Properties

Compound Name(6E,10E)-6,10-dimethyl-12-(oxan-2-yloxy)dodeca-6,10-dien-1-yn-3-ol
PubChem CID15726373
Molecular FormulaC19H30O3
Molecular Weight306.45 g/mol
Exact Mass306.22
IUPAC Name(6E,10E)-6,10-dimethyl-12-(oxan-2-yloxy)dodeca-6,10-dien-1-yn-3-ol
SMILESC#CC(O)CC/C(C)=C/CC/C(C)=C/COC1CCCCO1
InChIInChI=1S/C19H30O3/c1-4-18(20)12-11-16(2)8-7-9-17(3)13-15-22-19-10-5-6-14-21-19/h1,8,13,18-20H,5-7,9-12,14-15H2,2-3H3/b16-8+,17-13+
InChIKeyHURVXTSCJZTTOZ-IUIJUMGXSA-N
XLogP3.98
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (6E,10E)-6,10-dimethyl-12-(oxan-2-yloxy)dodeca-6,10-dien-1-yn-3-ol?
The IUPAC name of (6E,10E)-6,10-dimethyl-12-(oxan-2-yloxy)dodeca-6,10-dien-1-yn-3-ol (CID 15726373) is (6E,10E)-6,10-dimethyl-12-(oxan-2-yloxy)dodeca-6,10-dien-1-yn-3-ol.
What is the SMILES notation for (6E,10E)-6,10-dimethyl-12-(oxan-2-yloxy)dodeca-6,10-dien-1-yn-3-ol?
The canonical SMILES for (6E,10E)-6,10-dimethyl-12-(oxan-2-yloxy)dodeca-6,10-dien-1-yn-3-ol is C#CC(O)CC/C(C)=C/CC/C(C)=C/COC1CCCCO1.
What is the InChIKey of (6E,10E)-6,10-dimethyl-12-(oxan-2-yloxy)dodeca-6,10-dien-1-yn-3-ol?
The InChIKey is HURVXTSCJZTTOZ-IUIJUMGXSA-N. The full InChI is InChI=1S/C19H30O3/c1-4-18(20)12-11-16(2)8-7-9-17(3)13-15-22-19-10-5-6-14-21-19/h1,8,13,18-20H,5-7,9-12,14-15H2,2-3H3/b16-8+,17-13+.
What are the key properties of (6E,10E)-6,10-dimethyl-12-(oxan-2-yloxy)dodeca-6,10-dien-1-yn-3-ol?
(6E,10E)-6,10-dimethyl-12-(oxan-2-yloxy)dodeca-6,10-dien-1-yn-3-ol has a molecular weight of 306.45 g/mol, XLogP of 3.98, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6E,10E)-6,10-dimethyl-12-(oxan-2-yloxy)dodeca-6,10-dien-1-yn-3-ol is sourced from PubChem (CID 15726373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).