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

C11H18O4 — CID 11020248

IUPAC(4S)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-5-methylidene-1,3-dioxolane
SMILESC=C1OC(C)(C)O[C@H]1[C@@H]1COC(C)(C)O1
InChIInChI=1S/C11H18O4/c1-7-9(15-11(4,5)13-7)8-6-12-10(2,3)14-8/h8-9H,1,6H2,2-5H3/t8-,9+/m0/s1
InChIKeyVZMAVIJHNBQKHA-DTWKUNHWSA-N
MW214.26 g/mol
LogP1.80
Rot. Bonds1

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

(4S)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-5-methylidene-1,3-dioxolane (PubChem CID 11020248) has the molecular formula C11H18O4 and a molecular weight of 214.26 g/mol. Its IUPAC name is (4S)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-5-methylidene-1,3-dioxolane.

Molecular Properties

Compound Name(4S)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-5-methylidene-1,3-dioxolane
PubChem CID11020248
Molecular FormulaC11H18O4
Molecular Weight214.26 g/mol
Exact Mass214.12
IUPAC Name(4S)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-5-methylidene-1,3-dioxolane
SMILESC=C1OC(C)(C)O[C@H]1[C@@H]1COC(C)(C)O1
InChIInChI=1S/C11H18O4/c1-7-9(15-11(4,5)13-7)8-6-12-10(2,3)14-8/h8-9H,1,6H2,2-5H3/t8-,9+/m0/s1
InChIKeyVZMAVIJHNBQKHA-DTWKUNHWSA-N
XLogP1.80
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-5-methylidene-1,3-dioxolane?
The IUPAC name of (4S)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-5-methylidene-1,3-dioxolane (CID 11020248) is (4S)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-5-methylidene-1,3-dioxolane.
What is the SMILES notation for (4S)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-5-methylidene-1,3-dioxolane?
The canonical SMILES for (4S)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-5-methylidene-1,3-dioxolane is C=C1OC(C)(C)O[C@H]1[C@@H]1COC(C)(C)O1.
What is the InChIKey of (4S)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-5-methylidene-1,3-dioxolane?
The InChIKey is VZMAVIJHNBQKHA-DTWKUNHWSA-N. The full InChI is InChI=1S/C11H18O4/c1-7-9(15-11(4,5)13-7)8-6-12-10(2,3)14-8/h8-9H,1,6H2,2-5H3/t8-,9+/m0/s1.
What are the key properties of (4S)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-5-methylidene-1,3-dioxolane?
(4S)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-5-methylidene-1,3-dioxolane has a molecular weight of 214.26 g/mol, XLogP of 1.80, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-5-methylidene-1,3-dioxolane is sourced from PubChem (CID 11020248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).