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

C10H16O3 — CID 24973592

IUPAC4-(methoxymethoxy)-2,3-dimethylhexa-1,4,5-trien-3-ol
SMILESC=C=C(OCOC)C(C)(O)C(=C)C
InChIInChI=1S/C10H16O3/c1-6-9(13-7-12-5)10(4,11)8(2)3/h11H,1-2,7H2,3-5H3
InChIKeyMXQUHEGAJXAHEC-UHFFFAOYSA-N
MW184.23 g/mol
LogP1.60
Rot. Bonds5

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

4-(methoxymethoxy)-2,3-dimethylhexa-1,4,5-trien-3-ol (PubChem CID 24973592) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is 4-(methoxymethoxy)-2,3-dimethylhexa-1,4,5-trien-3-ol.

Molecular Properties

Compound Name4-(methoxymethoxy)-2,3-dimethylhexa-1,4,5-trien-3-ol
PubChem CID24973592
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name4-(methoxymethoxy)-2,3-dimethylhexa-1,4,5-trien-3-ol
SMILESC=C=C(OCOC)C(C)(O)C(=C)C
InChIInChI=1S/C10H16O3/c1-6-9(13-7-12-5)10(4,11)8(2)3/h11H,1-2,7H2,3-5H3
InChIKeyMXQUHEGAJXAHEC-UHFFFAOYSA-N
XLogP1.60
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 51.60
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

3-(Methoxymethoxy)-4,5,6-trimethylhepta-1,2,5-trien-4-ol
CID 10059036
3-(Methoxymethoxymethyl)-5-methylhex-4-en-3-ol
CID 10103953
3-(Methoxymethoxymethyl)-2-methylpent-1-en-3-ol
CID 10261588
3-(Methoxymethoxymethyl)pent-1-en-3-ol
CID 10329562
1,1,1-Trimethoxy-2,3-dimethylbut-3-en-2-ol
CID 21816324
1,1-Dimethoxy-2,3-dimethylbut-3-en-2-ol
CID 79190247
4-(2-Methoxyethoxymethoxy)-2-methylpent-4-en-2-ol
CID 102050979
(2S)-1,1-diethoxy-2,3-dimethylbut-3-en-2-ol
CID 125507206
(2R)-1,1-diethoxy-2,3-dimethylbut-3-en-2-ol
CID 125507207

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethoxy)-2,3-dimethylhexa-1,4,5-trien-3-ol?
The IUPAC name of 4-(methoxymethoxy)-2,3-dimethylhexa-1,4,5-trien-3-ol (CID 24973592) is 4-(methoxymethoxy)-2,3-dimethylhexa-1,4,5-trien-3-ol.
What is the SMILES notation for 4-(methoxymethoxy)-2,3-dimethylhexa-1,4,5-trien-3-ol?
The canonical SMILES for 4-(methoxymethoxy)-2,3-dimethylhexa-1,4,5-trien-3-ol is C=C=C(OCOC)C(C)(O)C(=C)C.
What is the InChIKey of 4-(methoxymethoxy)-2,3-dimethylhexa-1,4,5-trien-3-ol?
The InChIKey is MXQUHEGAJXAHEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3/c1-6-9(13-7-12-5)10(4,11)8(2)3/h11H,1-2,7H2,3-5H3.
What are the key properties of 4-(methoxymethoxy)-2,3-dimethylhexa-1,4,5-trien-3-ol?
4-(methoxymethoxy)-2,3-dimethylhexa-1,4,5-trien-3-ol has a molecular weight of 184.23 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethoxy)-2,3-dimethylhexa-1,4,5-trien-3-ol is sourced from PubChem (CID 24973592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).