3-(methoxymethoxy)-4,5,6-trimethylhepta-1,2,5-trien-4-ol

C12H20O3 — CID 10059036

IUPAC3-(methoxymethoxy)-4,5,6-trimethylhepta-1,2,5-trien-4-ol
SMILESC=C=C(OCOC)C(C)(O)C(C)=C(C)C
InChIInChI=1S/C12H20O3/c1-7-11(15-8-14-6)12(5,13)10(4)9(2)3/h13H,1,8H2,2-6H3
InChIKeyXNTGZNYWIVPQLP-UHFFFAOYSA-N
MW212.29 g/mol
LogP2.38
Rot. Bonds5

About 3-(methoxymethoxy)-4,5,6-trimethylhepta-1,2,5-trien-4-ol

3-(methoxymethoxy)-4,5,6-trimethylhepta-1,2,5-trien-4-ol (PubChem CID 10059036) has the molecular formula C12H20O3 and a molecular weight of 212.29 g/mol. Its IUPAC name is 3-(methoxymethoxy)-4,5,6-trimethylhepta-1,2,5-trien-4-ol.

Molecular Properties

Compound Name3-(methoxymethoxy)-4,5,6-trimethylhepta-1,2,5-trien-4-ol
PubChem CID10059036
Molecular FormulaC12H20O3
Molecular Weight212.29 g/mol
Exact Mass212.14
IUPAC Name3-(methoxymethoxy)-4,5,6-trimethylhepta-1,2,5-trien-4-ol
SMILESC=C=C(OCOC)C(C)(O)C(C)=C(C)C
InChIInChI=1S/C12H20O3/c1-7-11(15-8-14-6)12(5,13)10(4)9(2)3/h13H,1,8H2,2-6H3
InChIKeyXNTGZNYWIVPQLP-UHFFFAOYSA-N
XLogP2.38
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', '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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Related Compounds

4-(Methoxymethoxy)-2,3-dimethyl-1,4,5-hexatrien-3-ol
CID 24973592
(Z)-3-(methoxymethoxymethyl)hex-4-en-3-ol
CID 10035089
(E)-3-(methoxymethoxymethyl)hex-4-en-3-ol
CID 10035090
3-(Methoxymethoxymethyl)-5-methylhex-4-en-3-ol
CID 10103953
(5Z)-3-(methoxymethoxy)-4,5-dimethyl-6-trimethylsilyloxyhepta-1,2,5-trien-4-ol
CID 10266034
2-(2-Methoxyethoxymethoxy)-2,5-dimethylhex-4-en-3-ol
CID 14489257
(3R)-2-(2-methoxyethoxymethoxy)-2,5-dimethylhex-4-en-3-ol
CID 14489258

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethoxy)-4,5,6-trimethylhepta-1,2,5-trien-4-ol?
The IUPAC name of 3-(methoxymethoxy)-4,5,6-trimethylhepta-1,2,5-trien-4-ol (CID 10059036) is 3-(methoxymethoxy)-4,5,6-trimethylhepta-1,2,5-trien-4-ol.
What is the SMILES notation for 3-(methoxymethoxy)-4,5,6-trimethylhepta-1,2,5-trien-4-ol?
The canonical SMILES for 3-(methoxymethoxy)-4,5,6-trimethylhepta-1,2,5-trien-4-ol is C=C=C(OCOC)C(C)(O)C(C)=C(C)C.
What is the InChIKey of 3-(methoxymethoxy)-4,5,6-trimethylhepta-1,2,5-trien-4-ol?
The InChIKey is XNTGZNYWIVPQLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O3/c1-7-11(15-8-14-6)12(5,13)10(4)9(2)3/h13H,1,8H2,2-6H3.
What are the key properties of 3-(methoxymethoxy)-4,5,6-trimethylhepta-1,2,5-trien-4-ol?
3-(methoxymethoxy)-4,5,6-trimethylhepta-1,2,5-trien-4-ol has a molecular weight of 212.29 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethoxy)-4,5,6-trimethylhepta-1,2,5-trien-4-ol is sourced from PubChem (CID 10059036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).