ethyl (E,4S,8R)-10-(1,3-dioxolan-2-yl)-4-ethyl-8-methyldec-2-enoate

C18H32O4 — CID 24822385

IUPACethyl (E,4S,8R)-10-(1,3-dioxolan-2-yl)-4-ethyl-8-methyldec-2-enoate
SMILESCCOC(=O)/C=C/[C@@H](CC)CCC[C@@H](C)CCC1OCCO1
InChIInChI=1S/C18H32O4/c1-4-16(10-11-17(19)20-5-2)8-6-7-15(3)9-12-18-21-13-14-22-18/h10-11,15-16,18H,4-9,12-14H2,1-3H3/b11-10+/t15-,16+/m1/s1
InChIKeyYWKNWRIRALDVQU-PCCNWKQFSA-N
MW312.45 g/mol
LogP4.09
Rot. Bonds11

About ethyl (E,4S,8R)-10-(1,3-dioxolan-2-yl)-4-ethyl-8-methyldec-2-enoate

ethyl (E,4S,8R)-10-(1,3-dioxolan-2-yl)-4-ethyl-8-methyldec-2-enoate (PubChem CID 24822385) has the molecular formula C18H32O4 and a molecular weight of 312.45 g/mol. Its IUPAC name is ethyl (E,4S,8R)-10-(1,3-dioxolan-2-yl)-4-ethyl-8-methyldec-2-enoate.

Molecular Properties

Compound Nameethyl (E,4S,8R)-10-(1,3-dioxolan-2-yl)-4-ethyl-8-methyldec-2-enoate
PubChem CID24822385
Molecular FormulaC18H32O4
Molecular Weight312.45 g/mol
Exact Mass312.23
IUPAC Nameethyl (E,4S,8R)-10-(1,3-dioxolan-2-yl)-4-ethyl-8-methyldec-2-enoate
SMILESCCOC(=O)/C=C/[C@@H](CC)CCC[C@@H](C)CCC1OCCO1
InChIInChI=1S/C18H32O4/c1-4-16(10-11-17(19)20-5-2)8-6-7-15(3)9-12-18-21-13-14-22-18/h10-11,15-16,18H,4-9,12-14H2,1-3H3/b11-10+/t15-,16+/m1/s1
InChIKeyYWKNWRIRALDVQU-PCCNWKQFSA-N
XLogP4.09
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.45
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

ethyl (E,4S)-6-(1,3-dioxolan-2-yl)-4-methylhex-2-enoate
CID 24822224
ethyl (E,6R)-7-(1,3-dioxolan-2-yl)-2,6-dimethylhept-2-enoate
CID 60203757
ethyl (E,4R)-4-cyclohexyl-4-(2-methoxyethoxymethoxy)but-2-enoate
CID 135006288
ethyl (Z,4R)-4-cyclohexyl-4-(2-methoxyethoxymethoxy)but-2-enoate
CID 135077406
methyl (Z)-5-(1,4-dioxaspiro[4.4]nonan-9-yl)pent-2-enoate
CID 10444312
ethyl (E)-5-[(4R,5R)-5-dodecyl-2,2-dimethyl-1,3-dioxolan-4-yl]pent-2-enoate
CID 10834582
methyl (E)-3-[(4R,5R)-4,5-dicyclohexyl-2-methyl-1,3-dioxolan-2-yl]prop-2-enoate
CID 102302169
Ethyl 11-(2-methoxyethoxymethoxy)undec-2-enoate
CID 53699672
Methyl 3-[1-(2-hexan-2-yl-1,3-dioxolan-2-yl)cyclopropyl]prop-2-enoate
CID 57043094
Methyl 3-[1-(2-heptan-2-yl-1,3-dioxolan-2-yl)cyclopropyl]prop-2-enoate
CID 57239598
2-[6-methyl-7-(oxan-2-yloxy)octyl]-2H-furan-5-one
CID 58370758
(1R,3Z,7S,9E,15S,17R)-7-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-11,15-dimethyl-13-methylidene-6,21-dioxabicyclo[15.3.1]henicosa-3,9,19-trien-5-one
CID 59026913

Frequently Asked Questions

What is the IUPAC name of ethyl (E,4S,8R)-10-(1,3-dioxolan-2-yl)-4-ethyl-8-methyldec-2-enoate?
The IUPAC name of ethyl (E,4S,8R)-10-(1,3-dioxolan-2-yl)-4-ethyl-8-methyldec-2-enoate (CID 24822385) is ethyl (E,4S,8R)-10-(1,3-dioxolan-2-yl)-4-ethyl-8-methyldec-2-enoate.
What is the SMILES notation for ethyl (E,4S,8R)-10-(1,3-dioxolan-2-yl)-4-ethyl-8-methyldec-2-enoate?
The canonical SMILES for ethyl (E,4S,8R)-10-(1,3-dioxolan-2-yl)-4-ethyl-8-methyldec-2-enoate is CCOC(=O)/C=C/[C@@H](CC)CCC[C@@H](C)CCC1OCCO1.
What is the InChIKey of ethyl (E,4S,8R)-10-(1,3-dioxolan-2-yl)-4-ethyl-8-methyldec-2-enoate?
The InChIKey is YWKNWRIRALDVQU-PCCNWKQFSA-N. The full InChI is InChI=1S/C18H32O4/c1-4-16(10-11-17(19)20-5-2)8-6-7-15(3)9-12-18-21-13-14-22-18/h10-11,15-16,18H,4-9,12-14H2,1-3H3/b11-10+/t15-,16+/m1/s1.
What are the key properties of ethyl (E,4S,8R)-10-(1,3-dioxolan-2-yl)-4-ethyl-8-methyldec-2-enoate?
ethyl (E,4S,8R)-10-(1,3-dioxolan-2-yl)-4-ethyl-8-methyldec-2-enoate has a molecular weight of 312.45 g/mol, XLogP of 4.09, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E,4S,8R)-10-(1,3-dioxolan-2-yl)-4-ethyl-8-methyldec-2-enoate is sourced from PubChem (CID 24822385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).