dipropan-2-yl (4R,5R)-2-[(2R)-2,6-dimethylheptyl]-1,3-dioxolane-4,5-dicarboxylate

C20H36O6 — CID 14420016

IUPACdipropan-2-yl (4R,5R)-2-[(2R)-2,6-dimethylheptyl]-1,3-dioxolane-4,5-dicarboxylate
SMILESCC(C)CCC[C@@H](C)CC1O[C@@H](C(=O)OC(C)C)[C@H](C(=O)OC(C)C)O1
InChIInChI=1S/C20H36O6/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/h12-18H,8-11H2,1-7H3/t15-,17-,18-/m1/s1
InChIKeyYWQKLSMBBTURPF-KBAYOESNSA-N
MW372.50 g/mol
LogP3.85
Rot. Bonds10

About dipropan-2-yl (4R,5R)-2-[(2R)-2,6-dimethylheptyl]-1,3-dioxolane-4,5-dicarboxylate

dipropan-2-yl (4R,5R)-2-[(2R)-2,6-dimethylheptyl]-1,3-dioxolane-4,5-dicarboxylate (PubChem CID 14420016) has the molecular formula C20H36O6 and a molecular weight of 372.50 g/mol. Its IUPAC name is dipropan-2-yl (4R,5R)-2-[(2R)-2,6-dimethylheptyl]-1,3-dioxolane-4,5-dicarboxylate.

Molecular Properties

Compound Namedipropan-2-yl (4R,5R)-2-[(2R)-2,6-dimethylheptyl]-1,3-dioxolane-4,5-dicarboxylate
PubChem CID14420016
Molecular FormulaC20H36O6
Molecular Weight372.50 g/mol
Exact Mass372.25
IUPAC Namedipropan-2-yl (4R,5R)-2-[(2R)-2,6-dimethylheptyl]-1,3-dioxolane-4,5-dicarboxylate
SMILESCC(C)CCC[C@@H](C)CC1O[C@@H](C(=O)OC(C)C)[C@H](C(=O)OC(C)C)O1
InChIInChI=1S/C20H36O6/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/h12-18H,8-11H2,1-7H3/t15-,17-,18-/m1/s1
InChIKeyYWQKLSMBBTURPF-KBAYOESNSA-N
XLogP3.85
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.50
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of dipropan-2-yl (4R,5R)-2-[(2R)-2,6-dimethylheptyl]-1,3-dioxolane-4,5-dicarboxylate?
The IUPAC name of dipropan-2-yl (4R,5R)-2-[(2R)-2,6-dimethylheptyl]-1,3-dioxolane-4,5-dicarboxylate (CID 14420016) is dipropan-2-yl (4R,5R)-2-[(2R)-2,6-dimethylheptyl]-1,3-dioxolane-4,5-dicarboxylate.
What is the SMILES notation for dipropan-2-yl (4R,5R)-2-[(2R)-2,6-dimethylheptyl]-1,3-dioxolane-4,5-dicarboxylate?
The canonical SMILES for dipropan-2-yl (4R,5R)-2-[(2R)-2,6-dimethylheptyl]-1,3-dioxolane-4,5-dicarboxylate is CC(C)CCC[C@@H](C)CC1O[C@@H](C(=O)OC(C)C)[C@H](C(=O)OC(C)C)O1.
What is the InChIKey of dipropan-2-yl (4R,5R)-2-[(2R)-2,6-dimethylheptyl]-1,3-dioxolane-4,5-dicarboxylate?
The InChIKey is YWQKLSMBBTURPF-KBAYOESNSA-N. The full InChI is InChI=1S/C20H36O6/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/h12-18H,8-11H2,1-7H3/t15-,17-,18-/m1/s1.
What are the key properties of dipropan-2-yl (4R,5R)-2-[(2R)-2,6-dimethylheptyl]-1,3-dioxolane-4,5-dicarboxylate?
dipropan-2-yl (4R,5R)-2-[(2R)-2,6-dimethylheptyl]-1,3-dioxolane-4,5-dicarboxylate has a molecular weight of 372.50 g/mol, XLogP of 3.85, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dipropan-2-yl (4R,5R)-2-[(2R)-2,6-dimethylheptyl]-1,3-dioxolane-4,5-dicarboxylate is sourced from PubChem (CID 14420016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).