3,7,11-trimethyl-12-(oxan-2-yloxy)dodeca-6,10-dien-1-yn-3-ol

C20H32O3 — CID 131718157

IUPAC3,7,11-trimethyl-12-(oxan-2-yloxy)dodeca-6,10-dien-1-yn-3-ol
SMILESC#CC(C)(O)CCC=C(C)CCC=C(C)COC1CCCCO1
InChIInChI=1S/C20H32O3/c1-5-20(4,21)14-9-12-17(2)10-8-11-18(3)16-23-19-13-6-7-15-22-19/h1,11-12,19,21H,6-10,13-16H2,2-4H3
InChIKeyFSOLNPBEZIBCNY-UHFFFAOYSA-N
MW320.47 g/mol
LogP4.37
Rot. Bonds9

About 3,7,11-trimethyl-12-(oxan-2-yloxy)dodeca-6,10-dien-1-yn-3-ol

3,7,11-trimethyl-12-(oxan-2-yloxy)dodeca-6,10-dien-1-yn-3-ol (PubChem CID 131718157) has the molecular formula C20H32O3 and a molecular weight of 320.47 g/mol. Its IUPAC name is 3,7,11-trimethyl-12-(oxan-2-yloxy)dodeca-6,10-dien-1-yn-3-ol.

Molecular Properties

Compound Name3,7,11-trimethyl-12-(oxan-2-yloxy)dodeca-6,10-dien-1-yn-3-ol
PubChem CID131718157
Molecular FormulaC20H32O3
Molecular Weight320.47 g/mol
Exact Mass320.24
IUPAC Name3,7,11-trimethyl-12-(oxan-2-yloxy)dodeca-6,10-dien-1-yn-3-ol
SMILESC#CC(C)(O)CCC=C(C)CCC=C(C)COC1CCCCO1
InChIInChI=1S/C20H32O3/c1-5-20(4,21)14-9-12-17(2)10-8-11-18(3)16-23-19-13-6-7-15-22-19/h1,11-12,19,21H,6-10,13-16H2,2-4H3
InChIKeyFSOLNPBEZIBCNY-UHFFFAOYSA-N
XLogP4.37
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.47
LogP ≤ 54.37
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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Related Compounds

(7E,11E)-7,11-dimethyl-13-(oxan-2-yloxy)trideca-7,11-dien-2-yn-4-ol
CID 15726375
(4E,12E)-8-methyl-1-(oxan-2-yloxy)tetradeca-4,12-dien-9-yn-6-ol
CID 134885285
2-[(E)-3-methylhept-2-en-6-ynoxy]oxane
CID 135041902
2-[(6E)-3,7,11-trimethyldodeca-1,6,10-trien-3-yl]oxyoxane
CID 12526350
(6E,10E)-3,7,11-trimethyl-12-(oxan-2-yloxy)dodeca-6,10-dien-1-yn-3-ol
CID 15237477
(6E,10E)-12-(methoxymethoxy)-3,7,11-trimethyldodeca-6,10-dien-1-yn-3-ol
CID 15237479
(6E,10E)-6,10-dimethyl-12-(oxan-2-yloxy)dodeca-6,10-dien-1-yn-3-ol
CID 15726373
(5E,9E)-6,10,14-trimethyl-13-(oxan-2-yloxy)pentadeca-5,9,14-trien-2-yn-4-ol
CID 21242356
6,10-Dimethyl-12-(oxan-2-yloxy)dodeca-6,10-dien-1-yn-3-ol
CID 53897488
7,11-Dimethyl-13-(oxan-2-yloxy)trideca-7,11-dien-2-yn-4-ol
CID 53897626
6,10,14-Trimethyl-13-(oxan-2-yloxy)pentadeca-5,9,14-trien-2-yn-4-ol
CID 53996241
2,2,8,12-Tetramethyl-14-(oxan-2-yloxy)tetradeca-8,12-dien-3-yn-5-ol
CID 54283314

Frequently Asked Questions

What is the IUPAC name of 3,7,11-trimethyl-12-(oxan-2-yloxy)dodeca-6,10-dien-1-yn-3-ol?
The IUPAC name of 3,7,11-trimethyl-12-(oxan-2-yloxy)dodeca-6,10-dien-1-yn-3-ol (CID 131718157) is 3,7,11-trimethyl-12-(oxan-2-yloxy)dodeca-6,10-dien-1-yn-3-ol.
What is the SMILES notation for 3,7,11-trimethyl-12-(oxan-2-yloxy)dodeca-6,10-dien-1-yn-3-ol?
The canonical SMILES for 3,7,11-trimethyl-12-(oxan-2-yloxy)dodeca-6,10-dien-1-yn-3-ol is C#CC(C)(O)CCC=C(C)CCC=C(C)COC1CCCCO1.
What is the InChIKey of 3,7,11-trimethyl-12-(oxan-2-yloxy)dodeca-6,10-dien-1-yn-3-ol?
The InChIKey is FSOLNPBEZIBCNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32O3/c1-5-20(4,21)14-9-12-17(2)10-8-11-18(3)16-23-19-13-6-7-15-22-19/h1,11-12,19,21H,6-10,13-16H2,2-4H3.
What are the key properties of 3,7,11-trimethyl-12-(oxan-2-yloxy)dodeca-6,10-dien-1-yn-3-ol?
3,7,11-trimethyl-12-(oxan-2-yloxy)dodeca-6,10-dien-1-yn-3-ol has a molecular weight of 320.47 g/mol, XLogP of 4.37, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7,11-trimethyl-12-(oxan-2-yloxy)dodeca-6,10-dien-1-yn-3-ol is sourced from PubChem (CID 131718157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).