(2R)-2-[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-hydroxymethyl]-2H-furan-5-one

C10H14O5 — CID 10846279

IUPAC(2R)-2-[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-hydroxymethyl]-2H-furan-5-one
SMILESCC1(C)OC[C@H]([C@@H](O)[C@H]2C=CC(=O)O2)O1
InChIInChI=1S/C10H14O5/c1-10(2)13-5-7(15-10)9(12)6-3-4-8(11)14-6/h3-4,6-7,9,12H,5H2,1-2H3/t6-,7-,9+/m1/s1
InChIKeyLJNZOJFUNWNPOZ-BHNWBGBOSA-N
MW214.22 g/mol
LogP-0.02
Rot. Bonds2

About (2R)-2-[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-hydroxymethyl]-2H-furan-5-one

(2R)-2-[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-hydroxymethyl]-2H-furan-5-one (PubChem CID 10846279) has the molecular formula C10H14O5 and a molecular weight of 214.22 g/mol. Its IUPAC name is (2R)-2-[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-hydroxymethyl]-2H-furan-5-one.

Molecular Properties

Compound Name(2R)-2-[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-hydroxymethyl]-2H-furan-5-one
PubChem CID10846279
Molecular FormulaC10H14O5
Molecular Weight214.22 g/mol
Exact Mass214.08
IUPAC Name(2R)-2-[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-hydroxymethyl]-2H-furan-5-one
SMILESCC1(C)OC[C@H]([C@@H](O)[C@H]2C=CC(=O)O2)O1
InChIInChI=1S/C10H14O5/c1-10(2)13-5-7(15-10)9(12)6-3-4-8(11)14-6/h3-4,6-7,9,12H,5H2,1-2H3/t6-,7-,9+/m1/s1
InChIKeyLJNZOJFUNWNPOZ-BHNWBGBOSA-N
XLogP-0.02
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R)-2-[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-hydroxymethyl]-2H-furan-5-one with MolForge

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Related Compounds

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Colletodiol
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CID 381251
CID 381251
10-epi-Colletodiol
CID 10469093
(3E,6R,9E,11R,12S,14R)-11,12-Dihydroxy-6,14-dimethyl-1,7-dioxacyclotetradeca-3,9-diene-2,8-dione
CID 10660695
[(Z,1S,4S)-1-hydroxy-1-[(2S)-5-oxo-2H-furan-2-yl]oct-2-en-4-yl] acetate
CID 11149842
Xylogiblactone B
CID 101882366
Diplobifuranylone D
CID 139584808
Cordybislactone
CID 139589501
Aspersclerolide B
CID 146682629

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-hydroxymethyl]-2H-furan-5-one?
The IUPAC name of (2R)-2-[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-hydroxymethyl]-2H-furan-5-one (CID 10846279) is (2R)-2-[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-hydroxymethyl]-2H-furan-5-one.
What is the SMILES notation for (2R)-2-[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-hydroxymethyl]-2H-furan-5-one?
The canonical SMILES for (2R)-2-[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-hydroxymethyl]-2H-furan-5-one is CC1(C)OC[C@H]([C@@H](O)[C@H]2C=CC(=O)O2)O1.
What is the InChIKey of (2R)-2-[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-hydroxymethyl]-2H-furan-5-one?
The InChIKey is LJNZOJFUNWNPOZ-BHNWBGBOSA-N. The full InChI is InChI=1S/C10H14O5/c1-10(2)13-5-7(15-10)9(12)6-3-4-8(11)14-6/h3-4,6-7,9,12H,5H2,1-2H3/t6-,7-,9+/m1/s1.
What are the key properties of (2R)-2-[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-hydroxymethyl]-2H-furan-5-one?
(2R)-2-[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-hydroxymethyl]-2H-furan-5-one has a molecular weight of 214.22 g/mol, XLogP of -0.02, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-hydroxymethyl]-2H-furan-5-one is sourced from PubChem (CID 10846279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).