dipropan-2-yl 2-(2,6-dimethylhepta-1,5-dienyl)-1,3-dioxolane-4,5-dicarboxylate

C20H32O6 — CID 57195068

IUPACdipropan-2-yl 2-(2,6-dimethylhepta-1,5-dienyl)-1,3-dioxolane-4,5-dicarboxylate
SMILESCC(C)=CCCC(C)=CC1OC(C(=O)OC(C)C)C(C(=O)OC(C)C)O1
InChIInChI=1S/C20H32O6/c1-12(2)9-8-10-15(7)11-16-25-17(19(21)23-13(3)4)18(26-16)20(22)24-14(5)6/h9,11,13-14,16-18H,8,10H2,1-7H3
InChIKeyKEOIJITXRXJPAU-UHFFFAOYSA-N
MW368.47 g/mol
LogP3.69
Rot. Bonds8

About dipropan-2-yl 2-(2,6-dimethylhepta-1,5-dienyl)-1,3-dioxolane-4,5-dicarboxylate

dipropan-2-yl 2-(2,6-dimethylhepta-1,5-dienyl)-1,3-dioxolane-4,5-dicarboxylate (PubChem CID 57195068) has the molecular formula C20H32O6 and a molecular weight of 368.47 g/mol. Its IUPAC name is dipropan-2-yl 2-(2,6-dimethylhepta-1,5-dienyl)-1,3-dioxolane-4,5-dicarboxylate.

Molecular Properties

Compound Namedipropan-2-yl 2-(2,6-dimethylhepta-1,5-dienyl)-1,3-dioxolane-4,5-dicarboxylate
PubChem CID57195068
Molecular FormulaC20H32O6
Molecular Weight368.47 g/mol
Exact Mass368.22
IUPAC Namedipropan-2-yl 2-(2,6-dimethylhepta-1,5-dienyl)-1,3-dioxolane-4,5-dicarboxylate
SMILESCC(C)=CCCC(C)=CC1OC(C(=O)OC(C)C)C(C(=O)OC(C)C)O1
InChIInChI=1S/C20H32O6/c1-12(2)9-8-10-15(7)11-16-25-17(19(21)23-13(3)4)18(26-16)20(22)24-14(5)6/h9,11,13-14,16-18H,8,10H2,1-7H3
InChIKeyKEOIJITXRXJPAU-UHFFFAOYSA-N
XLogP3.69
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.47
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 dipropan-2-yl 2-(2,6-dimethylhepta-1,5-dienyl)-1,3-dioxolane-4,5-dicarboxylate?
The IUPAC name of dipropan-2-yl 2-(2,6-dimethylhepta-1,5-dienyl)-1,3-dioxolane-4,5-dicarboxylate (CID 57195068) is dipropan-2-yl 2-(2,6-dimethylhepta-1,5-dienyl)-1,3-dioxolane-4,5-dicarboxylate.
What is the SMILES notation for dipropan-2-yl 2-(2,6-dimethylhepta-1,5-dienyl)-1,3-dioxolane-4,5-dicarboxylate?
The canonical SMILES for dipropan-2-yl 2-(2,6-dimethylhepta-1,5-dienyl)-1,3-dioxolane-4,5-dicarboxylate is CC(C)=CCCC(C)=CC1OC(C(=O)OC(C)C)C(C(=O)OC(C)C)O1.
What is the InChIKey of dipropan-2-yl 2-(2,6-dimethylhepta-1,5-dienyl)-1,3-dioxolane-4,5-dicarboxylate?
The InChIKey is KEOIJITXRXJPAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32O6/c1-12(2)9-8-10-15(7)11-16-25-17(19(21)23-13(3)4)18(26-16)20(22)24-14(5)6/h9,11,13-14,16-18H,8,10H2,1-7H3.
What are the key properties of dipropan-2-yl 2-(2,6-dimethylhepta-1,5-dienyl)-1,3-dioxolane-4,5-dicarboxylate?
dipropan-2-yl 2-(2,6-dimethylhepta-1,5-dienyl)-1,3-dioxolane-4,5-dicarboxylate has a molecular weight of 368.47 g/mol, XLogP of 3.69, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dipropan-2-yl 2-(2,6-dimethylhepta-1,5-dienyl)-1,3-dioxolane-4,5-dicarboxylate is sourced from PubChem (CID 57195068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).