methoxymethyl (2E,6E)-9-[(1R,4S,6R)-2-(hydroxymethyl)-4-(methoxymethoxy)-1,6-dimethylcyclohex-2-en-1-yl]-3,7-dimethylnona-2,6-dienoate

C24H40O6 — CID 11430191

IUPACmethoxymethyl (2E,6E)-9-[(1R,4S,6R)-2-(hydroxymethyl)-4-(methoxymethoxy)-1,6-dimethylcyclohex-2-en-1-yl]-3,7-dimethylnona-2,6-dienoate
SMILESCOCOC(=O)/C=C(\C)CC/C=C(\C)CC[C@@]1(C)C(CO)=C[C@@H](OCOC)C[C@H]1C
InChIInChI=1S/C24H40O6/c1-18(8-7-9-19(2)12-23(26)30-17-28-6)10-11-24(4)20(3)13-22(29-16-27-5)14-21(24)15-25/h8,12,14,20,22,25H,7,9-11,13,15-17H2,1-6H3/b18-8+,19-12+/t20-,22+,24-/m1/s1
InChIKeyWBEDBGMZFRISAJ-UMFFEWRUSA-N
MW424.58 g/mol
LogP4.54
Rot. Bonds13

About methoxymethyl (2E,6E)-9-[(1R,4S,6R)-2-(hydroxymethyl)-4-(methoxymethoxy)-1,6-dimethylcyclohex-2-en-1-yl]-3,7-dimethylnona-2,6-dienoate

methoxymethyl (2E,6E)-9-[(1R,4S,6R)-2-(hydroxymethyl)-4-(methoxymethoxy)-1,6-dimethylcyclohex-2-en-1-yl]-3,7-dimethylnona-2,6-dienoate (PubChem CID 11430191) has the molecular formula C24H40O6 and a molecular weight of 424.58 g/mol. Its IUPAC name is methoxymethyl (2E,6E)-9-[(1R,4S,6R)-2-(hydroxymethyl)-4-(methoxymethoxy)-1,6-dimethylcyclohex-2-en-1-yl]-3,7-dimethylnona-2,6-dienoate.

Molecular Properties

Compound Namemethoxymethyl (2E,6E)-9-[(1R,4S,6R)-2-(hydroxymethyl)-4-(methoxymethoxy)-1,6-dimethylcyclohex-2-en-1-yl]-3,7-dimethylnona-2,6-dienoate
PubChem CID11430191
Molecular FormulaC24H40O6
Molecular Weight424.58 g/mol
Exact Mass424.28
IUPAC Namemethoxymethyl (2E,6E)-9-[(1R,4S,6R)-2-(hydroxymethyl)-4-(methoxymethoxy)-1,6-dimethylcyclohex-2-en-1-yl]-3,7-dimethylnona-2,6-dienoate
SMILESCOCOC(=O)/C=C(\C)CC/C=C(\C)CC[C@@]1(C)C(CO)=C[C@@H](OCOC)C[C@H]1C
InChIInChI=1S/C24H40O6/c1-18(8-7-9-19(2)12-23(26)30-17-28-6)10-11-24(4)20(3)13-22(29-16-27-5)14-21(24)15-25/h8,12,14,20,22,25H,7,9-11,13,15-17H2,1-6H3/b18-8+,19-12+/t20-,22+,24-/m1/s1
InChIKeyWBEDBGMZFRISAJ-UMFFEWRUSA-N
XLogP4.54
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.58
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze methoxymethyl (2E,6E)-9-[(1R,4S,6R)-2-(hydroxymethyl)-4-(methoxymethoxy)-1,6-dimethylcyclohex-2-en-1-yl]-3,7-dimethylnona-2,6-dienoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 9-(2,2-dimethylcyclopropyl)-3,7-dimethylnona-2,6-dienoate
CID 85059476
methyl (2E,6E)-3,7-dimethyl-9-[(2S,3S)-3-methyl-3-(phenylmethoxymethyl)oxiran-2-yl]nona-2,6-dienoate
CID 101004450
methyl 3-methyl-5-[(1S,2R,6R)-1,2,6-trimethyl-3-oxocyclohexyl]pent-2-enoate
CID 162893047
methyl (2E,6E)-9-[(2R,3R)-3-ethyl-3-methyloxiran-2-yl]-3,7-dimethylnona-2,6-dienoate
CID 163026829
ethyl 3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaenoate
CID 57102795
ethyl (2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoate
CID 5366011
ethyl (2E,6E,10E,14E)-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaenoate
CID 53482566
ethyl 9-(3,3-dimethylthiiran-2-yl)-3,7-dimethylnona-2,6-dienoate
CID 54109147
ethyl (2E,6Z)-3,7-dimethylnona-2,6-dienoate
CID 2297686
(2E,6E)-9-[(1S,2R)-1,2-dimethyl-4,6-dioxocyclohexyl]-3,7-dimethylnona-2,6-dienal
CID 11392548
10-methoxy-3,7-dimethyl-10-oxodeca-2,6-dienoic acid
CID 162814763
ethyl (2Z,6E)-10,10-dimethoxy-3,7-dimethyldeca-2,6-dienoate
CID 14103326

Frequently Asked Questions

What is the IUPAC name of methoxymethyl (2E,6E)-9-[(1R,4S,6R)-2-(hydroxymethyl)-4-(methoxymethoxy)-1,6-dimethylcyclohex-2-en-1-yl]-3,7-dimethylnona-2,6-dienoate?
The IUPAC name of methoxymethyl (2E,6E)-9-[(1R,4S,6R)-2-(hydroxymethyl)-4-(methoxymethoxy)-1,6-dimethylcyclohex-2-en-1-yl]-3,7-dimethylnona-2,6-dienoate (CID 11430191) is methoxymethyl (2E,6E)-9-[(1R,4S,6R)-2-(hydroxymethyl)-4-(methoxymethoxy)-1,6-dimethylcyclohex-2-en-1-yl]-3,7-dimethylnona-2,6-dienoate.
What is the SMILES notation for methoxymethyl (2E,6E)-9-[(1R,4S,6R)-2-(hydroxymethyl)-4-(methoxymethoxy)-1,6-dimethylcyclohex-2-en-1-yl]-3,7-dimethylnona-2,6-dienoate?
The canonical SMILES for methoxymethyl (2E,6E)-9-[(1R,4S,6R)-2-(hydroxymethyl)-4-(methoxymethoxy)-1,6-dimethylcyclohex-2-en-1-yl]-3,7-dimethylnona-2,6-dienoate is COCOC(=O)/C=C(\C)CC/C=C(\C)CC[C@@]1(C)C(CO)=C[C@@H](OCOC)C[C@H]1C.
What is the InChIKey of methoxymethyl (2E,6E)-9-[(1R,4S,6R)-2-(hydroxymethyl)-4-(methoxymethoxy)-1,6-dimethylcyclohex-2-en-1-yl]-3,7-dimethylnona-2,6-dienoate?
The InChIKey is WBEDBGMZFRISAJ-UMFFEWRUSA-N. The full InChI is InChI=1S/C24H40O6/c1-18(8-7-9-19(2)12-23(26)30-17-28-6)10-11-24(4)20(3)13-22(29-16-27-5)14-21(24)15-25/h8,12,14,20,22,25H,7,9-11,13,15-17H2,1-6H3/b18-8+,19-12+/t20-,22+,24-/m1/s1.
What are the key properties of methoxymethyl (2E,6E)-9-[(1R,4S,6R)-2-(hydroxymethyl)-4-(methoxymethoxy)-1,6-dimethylcyclohex-2-en-1-yl]-3,7-dimethylnona-2,6-dienoate?
methoxymethyl (2E,6E)-9-[(1R,4S,6R)-2-(hydroxymethyl)-4-(methoxymethoxy)-1,6-dimethylcyclohex-2-en-1-yl]-3,7-dimethylnona-2,6-dienoate has a molecular weight of 424.58 g/mol, XLogP of 4.54, 13 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methoxymethyl (2E,6E)-9-[(1R,4S,6R)-2-(hydroxymethyl)-4-(methoxymethoxy)-1,6-dimethylcyclohex-2-en-1-yl]-3,7-dimethylnona-2,6-dienoate is sourced from PubChem (CID 11430191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).