methyl (Z)-5-[(4S,5S)-5-[(Z)-hept-1-enyl]-1,3-dioxolan-4-yl]pent-4-enoate

C16H26O4 — CID 10684309

IUPACmethyl (Z)-5-[(4S,5S)-5-[(Z)-hept-1-enyl]-1,3-dioxolan-4-yl]pent-4-enoate
SMILESCCCCC/C=C\[C@@H]1OCO[C@H]1/C=C\CCC(=O)OC
InChIInChI=1S/C16H26O4/c1-3-4-5-6-7-10-14-15(20-13-19-14)11-8-9-12-16(17)18-2/h7-8,10-11,14-15H,3-6,9,12-13H2,1-2H3/b10-7-,11-8-/t14-,15-/m0/s1
InChIKeyHADLJLGFZLKOHD-XXQOZWBTSA-N
MW282.38 g/mol
LogP3.37
Rot. Bonds9

About methyl (Z)-5-[(4S,5S)-5-[(Z)-hept-1-enyl]-1,3-dioxolan-4-yl]pent-4-enoate

methyl (Z)-5-[(4S,5S)-5-[(Z)-hept-1-enyl]-1,3-dioxolan-4-yl]pent-4-enoate (PubChem CID 10684309) has the molecular formula C16H26O4 and a molecular weight of 282.38 g/mol. Its IUPAC name is methyl (Z)-5-[(4S,5S)-5-[(Z)-hept-1-enyl]-1,3-dioxolan-4-yl]pent-4-enoate.

Molecular Properties

Compound Namemethyl (Z)-5-[(4S,5S)-5-[(Z)-hept-1-enyl]-1,3-dioxolan-4-yl]pent-4-enoate
PubChem CID10684309
Molecular FormulaC16H26O4
Molecular Weight282.38 g/mol
Exact Mass282.18
IUPAC Namemethyl (Z)-5-[(4S,5S)-5-[(Z)-hept-1-enyl]-1,3-dioxolan-4-yl]pent-4-enoate
SMILESCCCCC/C=C\[C@@H]1OCO[C@H]1/C=C\CCC(=O)OC
InChIInChI=1S/C16H26O4/c1-3-4-5-6-7-10-14-15(20-13-19-14)11-8-9-12-16(17)18-2/h7-8,10-11,14-15H,3-6,9,12-13H2,1-2H3/b10-7-,11-8-/t14-,15-/m0/s1
InChIKeyHADLJLGFZLKOHD-XXQOZWBTSA-N
XLogP3.37
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl (Z)-5-[(4S,5S)-5-[(Z)-hept-1-enyl]-1,3-dioxolan-4-yl]pent-4-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

methyl (4Z,7Z,10Z,13Z,16Z,19Z,22Z,25Z,28Z)-tetratriaconta-4,7,10,13,16,19,22,25,28-nonaenoate
CID 10255583
methyl (Z)-undec-5-enoate
CID 11469683
(Z)-5-[(4S,5S)-5-[(Z)-hept-1-enyl]-1,3-dioxan-4-yl]pent-4-enoic acid
CID 15518097
methyl (Z)-dotriacont-15-enoate
CID 100966062
methyl octadec-7-enoate
CID 543314
methyl (Z)-octadec-12-enoate
CID 12963317
methyl dodec-5-enoate
CID 86010951
methyl (Z)-octadec-9-enoate
CID 5364509
methyl (E)-octadec-7-enoate
CID 5364440
methyl (E)-octadec-12-enoate
CID 5364503
methyl 8-(2-hex-1-enylcyclopropyl)oct-7-enoate
CID 77365865
methyl (E)-10-[3-(1-hydroxyhexyl)oxiran-2-yl]dec-9-enoate
CID 100968318

Frequently Asked Questions

What is the IUPAC name of methyl (Z)-5-[(4S,5S)-5-[(Z)-hept-1-enyl]-1,3-dioxolan-4-yl]pent-4-enoate?
The IUPAC name of methyl (Z)-5-[(4S,5S)-5-[(Z)-hept-1-enyl]-1,3-dioxolan-4-yl]pent-4-enoate (CID 10684309) is methyl (Z)-5-[(4S,5S)-5-[(Z)-hept-1-enyl]-1,3-dioxolan-4-yl]pent-4-enoate.
What is the SMILES notation for methyl (Z)-5-[(4S,5S)-5-[(Z)-hept-1-enyl]-1,3-dioxolan-4-yl]pent-4-enoate?
The canonical SMILES for methyl (Z)-5-[(4S,5S)-5-[(Z)-hept-1-enyl]-1,3-dioxolan-4-yl]pent-4-enoate is CCCCC/C=C\[C@@H]1OCO[C@H]1/C=C\CCC(=O)OC.
What is the InChIKey of methyl (Z)-5-[(4S,5S)-5-[(Z)-hept-1-enyl]-1,3-dioxolan-4-yl]pent-4-enoate?
The InChIKey is HADLJLGFZLKOHD-XXQOZWBTSA-N. The full InChI is InChI=1S/C16H26O4/c1-3-4-5-6-7-10-14-15(20-13-19-14)11-8-9-12-16(17)18-2/h7-8,10-11,14-15H,3-6,9,12-13H2,1-2H3/b10-7-,11-8-/t14-,15-/m0/s1.
What are the key properties of methyl (Z)-5-[(4S,5S)-5-[(Z)-hept-1-enyl]-1,3-dioxolan-4-yl]pent-4-enoate?
methyl (Z)-5-[(4S,5S)-5-[(Z)-hept-1-enyl]-1,3-dioxolan-4-yl]pent-4-enoate has a molecular weight of 282.38 g/mol, XLogP of 3.37, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-5-[(4S,5S)-5-[(Z)-hept-1-enyl]-1,3-dioxolan-4-yl]pent-4-enoate is sourced from PubChem (CID 10684309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).