dipropan-2-yl 2-(oxolan-2-ylmethyl)propanedioate

C14H24O5 — CID 103972667

IUPACdipropan-2-yl 2-(oxolan-2-ylmethyl)propanedioate
SMILESCC(C)OC(=O)C(CC1CCCO1)C(=O)OC(C)C
InChIInChI=1S/C14H24O5/c1-9(2)18-13(15)12(14(16)19-10(3)4)8-11-6-5-7-17-11/h9-12H,5-8H2,1-4H3
InChIKeyRMBPFJOXGWWARR-UHFFFAOYSA-N
MW272.34 g/mol
LogP2.07
Rot. Bonds6

About dipropan-2-yl 2-(oxolan-2-ylmethyl)propanedioate

dipropan-2-yl 2-(oxolan-2-ylmethyl)propanedioate (PubChem CID 103972667) has the molecular formula C14H24O5 and a molecular weight of 272.34 g/mol. Its IUPAC name is dipropan-2-yl 2-(oxolan-2-ylmethyl)propanedioate.

Molecular Properties

Compound Namedipropan-2-yl 2-(oxolan-2-ylmethyl)propanedioate
PubChem CID103972667
Molecular FormulaC14H24O5
Molecular Weight272.34 g/mol
Exact Mass272.16
IUPAC Namedipropan-2-yl 2-(oxolan-2-ylmethyl)propanedioate
SMILESCC(C)OC(=O)C(CC1CCCO1)C(=O)OC(C)C
InChIInChI=1S/C14H24O5/c1-9(2)18-13(15)12(14(16)19-10(3)4)8-11-6-5-7-17-11/h9-12H,5-8H2,1-4H3
InChIKeyRMBPFJOXGWWARR-UHFFFAOYSA-N
XLogP2.07
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

methyl 2-hydroxy-3-[(2R)-oxolan-2-yl]propanoate
CID 67130803
(2R)-1-(oxolan-2-yl)propan-2-amine
CID 104932128
ethyl 2-hydroxy-3-(oxolan-2-yl)propanoate
CID 11788721
ethyl 2-(oxan-2-ylmethyl)-3-oxobutanoate
CID 15304158
O-[1-(oxolan-2-yl)propan-2-yl]hydroxylamine
CID 117104758
oxolan-2-ylmethyl 2-aminopropanoate
CID 61279087
propan-2-yl 2-(oxolan-2-ylmethylsulfinyl)acetate
CID 106495212
oxolan-2-ylmethyl 2-aminopropanoate;hydrochloride
CID 139215530
3-(oxolan-2-yl)-2-(oxolan-2-ylmethyl)propanoic acid
CID 14391738
(2R)-2-amino-3-[(2R)-oxolan-2-yl]propanoic acid;hydrochloride
CID 155943705
ethyl (2R)-4-oxo-2-[[(2S)-oxolan-2-yl]methyl]butanoate
CID 135077669
2-[[(2S)-2-amino-3-methylpentanoyl]amino]-3-(oxolan-2-yl)propanoic acid
CID 70219183

Frequently Asked Questions

What is the IUPAC name of dipropan-2-yl 2-(oxolan-2-ylmethyl)propanedioate?
The IUPAC name of dipropan-2-yl 2-(oxolan-2-ylmethyl)propanedioate (CID 103972667) is dipropan-2-yl 2-(oxolan-2-ylmethyl)propanedioate.
What is the SMILES notation for dipropan-2-yl 2-(oxolan-2-ylmethyl)propanedioate?
The canonical SMILES for dipropan-2-yl 2-(oxolan-2-ylmethyl)propanedioate is CC(C)OC(=O)C(CC1CCCO1)C(=O)OC(C)C.
What is the InChIKey of dipropan-2-yl 2-(oxolan-2-ylmethyl)propanedioate?
The InChIKey is RMBPFJOXGWWARR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O5/c1-9(2)18-13(15)12(14(16)19-10(3)4)8-11-6-5-7-17-11/h9-12H,5-8H2,1-4H3.
What are the key properties of dipropan-2-yl 2-(oxolan-2-ylmethyl)propanedioate?
dipropan-2-yl 2-(oxolan-2-ylmethyl)propanedioate has a molecular weight of 272.34 g/mol, XLogP of 2.07, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dipropan-2-yl 2-(oxolan-2-ylmethyl)propanedioate is sourced from PubChem (CID 103972667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).