(5Z)-5-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methylidene]furan-2-one

C10H12O4 — CID 11030721

IUPAC(5Z)-5-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methylidene]furan-2-one
SMILESCC1(C)OC[C@H](/C=C2/C=CC(=O)O2)O1
InChIInChI=1S/C10H12O4/c1-10(2)12-6-8(14-10)5-7-3-4-9(11)13-7/h3-5,8H,6H2,1-2H3/b7-5-/t8-/m0/s1
InChIKeySHJZGWOIZAVSLZ-TVSKSKRASA-N
MW196.20 g/mol
LogP1.13
Rot. Bonds1

About (5Z)-5-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methylidene]furan-2-one

(5Z)-5-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methylidene]furan-2-one (PubChem CID 11030721) has the molecular formula C10H12O4 and a molecular weight of 196.20 g/mol. Its IUPAC name is (5Z)-5-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methylidene]furan-2-one.

Molecular Properties

Compound Name(5Z)-5-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methylidene]furan-2-one
PubChem CID11030721
Molecular FormulaC10H12O4
Molecular Weight196.20 g/mol
Exact Mass196.07
IUPAC Name(5Z)-5-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methylidene]furan-2-one
SMILESCC1(C)OC[C@H](/C=C2/C=CC(=O)O2)O1
InChIInChI=1S/C10H12O4/c1-10(2)12-6-8(14-10)5-7-3-4-9(11)13-7/h3-5,8H,6H2,1-2H3/b7-5-/t8-/m0/s1
InChIKeySHJZGWOIZAVSLZ-TVSKSKRASA-N
XLogP1.13
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.20
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methylidene]furan-2-one?
The IUPAC name of (5Z)-5-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methylidene]furan-2-one (CID 11030721) is (5Z)-5-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methylidene]furan-2-one.
What is the SMILES notation for (5Z)-5-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methylidene]furan-2-one?
The canonical SMILES for (5Z)-5-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methylidene]furan-2-one is CC1(C)OC[C@H](/C=C2/C=CC(=O)O2)O1.
What is the InChIKey of (5Z)-5-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methylidene]furan-2-one?
The InChIKey is SHJZGWOIZAVSLZ-TVSKSKRASA-N. The full InChI is InChI=1S/C10H12O4/c1-10(2)12-6-8(14-10)5-7-3-4-9(11)13-7/h3-5,8H,6H2,1-2H3/b7-5-/t8-/m0/s1.
What are the key properties of (5Z)-5-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methylidene]furan-2-one?
(5Z)-5-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methylidene]furan-2-one has a molecular weight of 196.20 g/mol, XLogP of 1.13, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methylidene]furan-2-one is sourced from PubChem (CID 11030721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).