12-(methoxymethoxy)-3,7,11-trimethyldodeca-1,6,10-trien-3-ol

C17H30O3 — CID 54127024

IUPAC12-(methoxymethoxy)-3,7,11-trimethyldodeca-1,6,10-trien-3-ol
SMILESC=CC(C)(O)CCC=C(C)CCC=C(C)COCOC
InChIInChI=1S/C17H30O3/c1-6-17(4,18)12-8-11-15(2)9-7-10-16(3)13-20-14-19-5/h6,10-11,18H,1,7-9,12-14H2,2-5H3
InChIKeyNRRNZTBQPXHFHY-UHFFFAOYSA-N
MW282.42 g/mol
LogP4.00
Rot. Bonds11

About 12-(methoxymethoxy)-3,7,11-trimethyldodeca-1,6,10-trien-3-ol

12-(methoxymethoxy)-3,7,11-trimethyldodeca-1,6,10-trien-3-ol (PubChem CID 54127024) has the molecular formula C17H30O3 and a molecular weight of 282.42 g/mol. Its IUPAC name is 12-(methoxymethoxy)-3,7,11-trimethyldodeca-1,6,10-trien-3-ol.

Molecular Properties

Compound Name12-(methoxymethoxy)-3,7,11-trimethyldodeca-1,6,10-trien-3-ol
PubChem CID54127024
Molecular FormulaC17H30O3
Molecular Weight282.42 g/mol
Exact Mass282.22
IUPAC Name12-(methoxymethoxy)-3,7,11-trimethyldodeca-1,6,10-trien-3-ol
SMILESC=CC(C)(O)CCC=C(C)CCC=C(C)COCOC
InChIInChI=1S/C17H30O3/c1-6-17(4,18)12-8-11-15(2)9-7-10-16(3)13-20-14-19-5/h6,10-11,18H,1,7-9,12-14H2,2-5H3
InChIKeyNRRNZTBQPXHFHY-UHFFFAOYSA-N
XLogP4.00
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.42
LogP ≤ 54.00
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'}

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Frequently Asked Questions

What is the IUPAC name of 12-(methoxymethoxy)-3,7,11-trimethyldodeca-1,6,10-trien-3-ol?
The IUPAC name of 12-(methoxymethoxy)-3,7,11-trimethyldodeca-1,6,10-trien-3-ol (CID 54127024) is 12-(methoxymethoxy)-3,7,11-trimethyldodeca-1,6,10-trien-3-ol.
What is the SMILES notation for 12-(methoxymethoxy)-3,7,11-trimethyldodeca-1,6,10-trien-3-ol?
The canonical SMILES for 12-(methoxymethoxy)-3,7,11-trimethyldodeca-1,6,10-trien-3-ol is C=CC(C)(O)CCC=C(C)CCC=C(C)COCOC.
What is the InChIKey of 12-(methoxymethoxy)-3,7,11-trimethyldodeca-1,6,10-trien-3-ol?
The InChIKey is NRRNZTBQPXHFHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O3/c1-6-17(4,18)12-8-11-15(2)9-7-10-16(3)13-20-14-19-5/h6,10-11,18H,1,7-9,12-14H2,2-5H3.
What are the key properties of 12-(methoxymethoxy)-3,7,11-trimethyldodeca-1,6,10-trien-3-ol?
12-(methoxymethoxy)-3,7,11-trimethyldodeca-1,6,10-trien-3-ol has a molecular weight of 282.42 g/mol, XLogP of 4.00, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(methoxymethoxy)-3,7,11-trimethyldodeca-1,6,10-trien-3-ol is sourced from PubChem (CID 54127024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).