ethyl (3Z)-3,9-dimethyl-6-(2-methyl-1,3-dioxolan-2-yl)deca-3,9-dienoate

C18H30O4 — CID 10990543

IUPACethyl (3Z)-3,9-dimethyl-6-(2-methyl-1,3-dioxolan-2-yl)deca-3,9-dienoate
SMILESC=C(C)CCC(C/C=C(/C)CC(=O)OCC)C1(C)OCCO1
InChIInChI=1S/C18H30O4/c1-6-20-17(19)13-15(4)8-10-16(9-7-14(2)3)18(5)21-11-12-22-18/h8,16H,2,6-7,9-13H2,1,3-5H3/b15-8-
InChIKeyZZVUNHWOCPYUEX-NVNXTCNLSA-N
MW310.43 g/mol
LogP4.01
Rot. Bonds9

About ethyl (3Z)-3,9-dimethyl-6-(2-methyl-1,3-dioxolan-2-yl)deca-3,9-dienoate

ethyl (3Z)-3,9-dimethyl-6-(2-methyl-1,3-dioxolan-2-yl)deca-3,9-dienoate (PubChem CID 10990543) has the molecular formula C18H30O4 and a molecular weight of 310.43 g/mol. Its IUPAC name is ethyl (3Z)-3,9-dimethyl-6-(2-methyl-1,3-dioxolan-2-yl)deca-3,9-dienoate.

Molecular Properties

Compound Nameethyl (3Z)-3,9-dimethyl-6-(2-methyl-1,3-dioxolan-2-yl)deca-3,9-dienoate
PubChem CID10990543
Molecular FormulaC18H30O4
Molecular Weight310.43 g/mol
Exact Mass310.21
IUPAC Nameethyl (3Z)-3,9-dimethyl-6-(2-methyl-1,3-dioxolan-2-yl)deca-3,9-dienoate
SMILESC=C(C)CCC(C/C=C(/C)CC(=O)OCC)C1(C)OCCO1
InChIInChI=1S/C18H30O4/c1-6-20-17(19)13-15(4)8-10-16(9-7-14(2)3)18(5)21-11-12-22-18/h8,16H,2,6-7,9-13H2,1,3-5H3/b15-8-
InChIKeyZZVUNHWOCPYUEX-NVNXTCNLSA-N
XLogP4.01
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.43
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl (3Z)-3,9-dimethyl-6-(2-methyl-1,3-dioxolan-2-yl)deca-3,9-dienoate?
The IUPAC name of ethyl (3Z)-3,9-dimethyl-6-(2-methyl-1,3-dioxolan-2-yl)deca-3,9-dienoate (CID 10990543) is ethyl (3Z)-3,9-dimethyl-6-(2-methyl-1,3-dioxolan-2-yl)deca-3,9-dienoate.
What is the SMILES notation for ethyl (3Z)-3,9-dimethyl-6-(2-methyl-1,3-dioxolan-2-yl)deca-3,9-dienoate?
The canonical SMILES for ethyl (3Z)-3,9-dimethyl-6-(2-methyl-1,3-dioxolan-2-yl)deca-3,9-dienoate is C=C(C)CCC(C/C=C(/C)CC(=O)OCC)C1(C)OCCO1.
What is the InChIKey of ethyl (3Z)-3,9-dimethyl-6-(2-methyl-1,3-dioxolan-2-yl)deca-3,9-dienoate?
The InChIKey is ZZVUNHWOCPYUEX-NVNXTCNLSA-N. The full InChI is InChI=1S/C18H30O4/c1-6-20-17(19)13-15(4)8-10-16(9-7-14(2)3)18(5)21-11-12-22-18/h8,16H,2,6-7,9-13H2,1,3-5H3/b15-8-.
What are the key properties of ethyl (3Z)-3,9-dimethyl-6-(2-methyl-1,3-dioxolan-2-yl)deca-3,9-dienoate?
ethyl (3Z)-3,9-dimethyl-6-(2-methyl-1,3-dioxolan-2-yl)deca-3,9-dienoate has a molecular weight of 310.43 g/mol, XLogP of 4.01, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3Z)-3,9-dimethyl-6-(2-methyl-1,3-dioxolan-2-yl)deca-3,9-dienoate is sourced from PubChem (CID 10990543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).