ethyl (Z,4S)-9-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-(methoxymethoxy)non-5-enoate

C18H32O6 — CID 10980857

IUPACethyl (Z,4S)-9-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-(methoxymethoxy)non-5-enoate
SMILESCCOC(=O)CC[C@@H](/C=C\CCC[C@@H]1COC(C)(C)O1)OCOC
InChIInChI=1S/C18H32O6/c1-5-21-17(19)12-11-15(22-14-20-4)9-7-6-8-10-16-13-23-18(2,3)24-16/h7,9,15-16H,5-6,8,10-14H2,1-4H3/b9-7-/t15-,16-/m1/s1
InChIKeyYLOOLLMCCUFERS-LRDXNBAQSA-N
MW344.45 g/mol
LogP3.20
Rot. Bonds12

About ethyl (Z,4S)-9-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-(methoxymethoxy)non-5-enoate

ethyl (Z,4S)-9-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-(methoxymethoxy)non-5-enoate (PubChem CID 10980857) has the molecular formula C18H32O6 and a molecular weight of 344.45 g/mol. Its IUPAC name is ethyl (Z,4S)-9-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-(methoxymethoxy)non-5-enoate.

Molecular Properties

Compound Nameethyl (Z,4S)-9-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-(methoxymethoxy)non-5-enoate
PubChem CID10980857
Molecular FormulaC18H32O6
Molecular Weight344.45 g/mol
Exact Mass344.22
IUPAC Nameethyl (Z,4S)-9-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-(methoxymethoxy)non-5-enoate
SMILESCCOC(=O)CC[C@@H](/C=C\CCC[C@@H]1COC(C)(C)O1)OCOC
InChIInChI=1S/C18H32O6/c1-5-21-17(19)12-11-15(22-14-20-4)9-7-6-8-10-16-13-23-18(2,3)24-16/h7,9,15-16H,5-6,8,10-14H2,1-4H3/b9-7-/t15-,16-/m1/s1
InChIKeyYLOOLLMCCUFERS-LRDXNBAQSA-N
XLogP3.20
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.45
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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'}

Analyze ethyl (Z,4S)-9-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-(methoxymethoxy)non-5-enoate 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

(2,2-dimethyl-1,3-dioxolan-4-yl)methyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate
CID 23624905
(S,5Z,8Z,11Z,14Z)-(2,2-dimethyl-1,3-dioxolan-4-yl)methyl icosa-5,8,11,14-tetraenoate
CID 23625078
(R,5Z,8Z,11Z,14Z)-(2,2-dimethyl-1,3-dioxolan-4-yl)methyl icosa-5,8,11,14-tetraenoate
CID 23625238
(3aR,4R,10E,11aS)-2,2-dimethyl-4-propyl-3a,4,7,8,9,11a-hexahydro-[1,3]dioxolo[4,5-c]oxecin-6-one
CID 11230965
Methyl 3-(2,5-dimethoxy-2,5-dihydro-2-furyl)propionate
CID 13149550
methyl (Z)-7-[(4S,5R)-2,2-dimethyl-5-[(1Z,3E,5E)-undeca-1,3,5-trienyl]-1,3-dioxolan-4-yl]hept-5-enoate
CID 15755905
(3aR,4R,10Z,11aS)-2,2-dimethyl-4-propyl-3a,4,7,8,9,11a-hexahydro-[1,3]dioxolo[4,5-c]oxecin-6-one
CID 23649866
methyl (E)-5-[(2S,3S)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-1,4-dioxaspiro[4.5]decan-2-yl]pent-4-enoate
CID 12041137
(3aS,7R,9S,10E,11aS)-9-(methoxymethoxy)-2,2,7-trimethyl-3a,4,7,8,9,11a-hexahydro-[1,3]dioxolo[4,5-d]oxecin-5-one
CID 10494450
(3aR,8S,10E,11aR)-8-[(1S)-1-(methoxymethoxy)heptyl]-2,2-dimethyl-3a,4,5,8,9,11a-hexahydro-[1,3]dioxolo[4,5-e]oxecin-6-one
CID 11199976
(3aR,8S,10Z,11aR)-8-[(1S)-1-(methoxymethoxy)heptyl]-2,2-dimethyl-3a,4,5,8,9,11a-hexahydro-[1,3]dioxolo[4,5-e]oxecin-6-one
CID 11545476
(3aR,4R,7S,11aS)-7-(methoxymethoxy)-2,2-dimethyl-4-propyl-3a,4,7,8,9,11a-hexahydro-[1,3]dioxolo[4,5-c]oxecin-6-one
CID 134830523

Frequently Asked Questions

What is the IUPAC name of ethyl (Z,4S)-9-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-(methoxymethoxy)non-5-enoate?
The IUPAC name of ethyl (Z,4S)-9-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-(methoxymethoxy)non-5-enoate (CID 10980857) is ethyl (Z,4S)-9-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-(methoxymethoxy)non-5-enoate.
What is the SMILES notation for ethyl (Z,4S)-9-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-(methoxymethoxy)non-5-enoate?
The canonical SMILES for ethyl (Z,4S)-9-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-(methoxymethoxy)non-5-enoate is CCOC(=O)CC[C@@H](/C=C\CCC[C@@H]1COC(C)(C)O1)OCOC.
What is the InChIKey of ethyl (Z,4S)-9-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-(methoxymethoxy)non-5-enoate?
The InChIKey is YLOOLLMCCUFERS-LRDXNBAQSA-N. The full InChI is InChI=1S/C18H32O6/c1-5-21-17(19)12-11-15(22-14-20-4)9-7-6-8-10-16-13-23-18(2,3)24-16/h7,9,15-16H,5-6,8,10-14H2,1-4H3/b9-7-/t15-,16-/m1/s1.
What are the key properties of ethyl (Z,4S)-9-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-(methoxymethoxy)non-5-enoate?
ethyl (Z,4S)-9-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-(methoxymethoxy)non-5-enoate has a molecular weight of 344.45 g/mol, XLogP of 3.20, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z,4S)-9-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-(methoxymethoxy)non-5-enoate is sourced from PubChem (CID 10980857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).