(6E,10E)-12-(methoxymethoxy)-3,7,11-trimethyldodeca-6,10-dien-1-yn-3-ol

C17H28O3 — CID 15237479

IUPAC(6E,10E)-12-(methoxymethoxy)-3,7,11-trimethyldodeca-6,10-dien-1-yn-3-ol
SMILESC#CC(C)(O)CC/C=C(\C)CC/C=C(\C)COCOC
InChIInChI=1S/C17H28O3/c1-6-17(4,18)12-8-11-15(2)9-7-10-16(3)13-20-14-19-5/h1,10-11,18H,7-9,12-14H2,2-5H3/b15-11+,16-10+
InChIKeyGFGHRKPYKFJAAQ-YUCRUYSYSA-N
MW280.41 g/mol
LogP3.44
Rot. Bonds10

About (6E,10E)-12-(methoxymethoxy)-3,7,11-trimethyldodeca-6,10-dien-1-yn-3-ol

(6E,10E)-12-(methoxymethoxy)-3,7,11-trimethyldodeca-6,10-dien-1-yn-3-ol (PubChem CID 15237479) has the molecular formula C17H28O3 and a molecular weight of 280.41 g/mol. Its IUPAC name is (6E,10E)-12-(methoxymethoxy)-3,7,11-trimethyldodeca-6,10-dien-1-yn-3-ol.

Molecular Properties

Compound Name(6E,10E)-12-(methoxymethoxy)-3,7,11-trimethyldodeca-6,10-dien-1-yn-3-ol
PubChem CID15237479
Molecular FormulaC17H28O3
Molecular Weight280.41 g/mol
Exact Mass280.20
IUPAC Name(6E,10E)-12-(methoxymethoxy)-3,7,11-trimethyldodeca-6,10-dien-1-yn-3-ol
SMILESC#CC(C)(O)CC/C=C(\C)CC/C=C(\C)COCOC
InChIInChI=1S/C17H28O3/c1-6-17(4,18)12-8-11-15(2)9-7-10-16(3)13-20-14-19-5/h1,10-11,18H,7-9,12-14H2,2-5H3/b15-11+,16-10+
InChIKeyGFGHRKPYKFJAAQ-YUCRUYSYSA-N
XLogP3.44
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

(6E,10E)-3,7,11-trimethyl-12-(oxan-2-yloxy)dodeca-6,10-dien-1-yn-3-ol
CID 15237477
3,7,11-Trimethyl-12-(methoxymethyl)oxy-1,6,10-dodecatrien-3-ol
CID 54127024
(6E,10E)-12-(methoxymethoxy)-3,7,11-trimethyldodeca-1,6,10-trien-3-ol
CID 57503110
1,1-Diethoxy-4,8-dimethylnon-7-en-2-yn-4-ol
CID 85942260
(6E,10E)-12-(methoxymethoxy)-3,7,11-trimethyldodeca-6,10-dien-3-ol
CID 88461051
3,7,11-Trimethyl-12-(2-tetrahydropyranyl)oxy-6,10-dodecadien-1-in-3-ol
CID 131718157
3,7,11-Trimethyl-12-(methoxymethyl)oxy-6,10-dodecadien-1-in-3-ol
CID 131718158
12-(Methoxymethoxy)-3,7,11-trimethyldodeca-6,10-dien-3-ol
CID 173356210

Frequently Asked Questions

What is the IUPAC name of (6E,10E)-12-(methoxymethoxy)-3,7,11-trimethyldodeca-6,10-dien-1-yn-3-ol?
The IUPAC name of (6E,10E)-12-(methoxymethoxy)-3,7,11-trimethyldodeca-6,10-dien-1-yn-3-ol (CID 15237479) is (6E,10E)-12-(methoxymethoxy)-3,7,11-trimethyldodeca-6,10-dien-1-yn-3-ol.
What is the SMILES notation for (6E,10E)-12-(methoxymethoxy)-3,7,11-trimethyldodeca-6,10-dien-1-yn-3-ol?
The canonical SMILES for (6E,10E)-12-(methoxymethoxy)-3,7,11-trimethyldodeca-6,10-dien-1-yn-3-ol is C#CC(C)(O)CC/C=C(\C)CC/C=C(\C)COCOC.
What is the InChIKey of (6E,10E)-12-(methoxymethoxy)-3,7,11-trimethyldodeca-6,10-dien-1-yn-3-ol?
The InChIKey is GFGHRKPYKFJAAQ-YUCRUYSYSA-N. The full InChI is InChI=1S/C17H28O3/c1-6-17(4,18)12-8-11-15(2)9-7-10-16(3)13-20-14-19-5/h1,10-11,18H,7-9,12-14H2,2-5H3/b15-11+,16-10+.
What are the key properties of (6E,10E)-12-(methoxymethoxy)-3,7,11-trimethyldodeca-6,10-dien-1-yn-3-ol?
(6E,10E)-12-(methoxymethoxy)-3,7,11-trimethyldodeca-6,10-dien-1-yn-3-ol has a molecular weight of 280.41 g/mol, XLogP of 3.44, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6E,10E)-12-(methoxymethoxy)-3,7,11-trimethyldodeca-6,10-dien-1-yn-3-ol is sourced from PubChem (CID 15237479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).