(4S,5S)-2-cyclopenta-2,4-dien-1-yl-4,5-bis(methoxymethyl)-1,3-dioxolane

C12H18O4 — CID 101147589

IUPAC(4S,5S)-2-cyclopenta-2,4-dien-1-yl-4,5-bis(methoxymethyl)-1,3-dioxolane
SMILESCOC[C@@H]1OC(C2C=CC=C2)O[C@H]1COC
InChIInChI=1S/C12H18O4/c1-13-7-10-11(8-14-2)16-12(15-10)9-5-3-4-6-9/h3-6,9-12H,7-8H2,1-2H3/t10-,11-/m0/s1
InChIKeyAAFVCVOMZUEXKC-QWRGUYRKSA-N
MW226.27 g/mol
LogP1.13
Rot. Bonds5

About (4S,5S)-2-cyclopenta-2,4-dien-1-yl-4,5-bis(methoxymethyl)-1,3-dioxolane

(4S,5S)-2-cyclopenta-2,4-dien-1-yl-4,5-bis(methoxymethyl)-1,3-dioxolane (PubChem CID 101147589) has the molecular formula C12H18O4 and a molecular weight of 226.27 g/mol. Its IUPAC name is (4S,5S)-2-cyclopenta-2,4-dien-1-yl-4,5-bis(methoxymethyl)-1,3-dioxolane.

Molecular Properties

Compound Name(4S,5S)-2-cyclopenta-2,4-dien-1-yl-4,5-bis(methoxymethyl)-1,3-dioxolane
PubChem CID101147589
Molecular FormulaC12H18O4
Molecular Weight226.27 g/mol
Exact Mass226.12
IUPAC Name(4S,5S)-2-cyclopenta-2,4-dien-1-yl-4,5-bis(methoxymethyl)-1,3-dioxolane
SMILESCOC[C@@H]1OC(C2C=CC=C2)O[C@H]1COC
InChIInChI=1S/C12H18O4/c1-13-7-10-11(8-14-2)16-12(15-10)9-5-3-4-6-9/h3-6,9-12H,7-8H2,1-2H3/t10-,11-/m0/s1
InChIKeyAAFVCVOMZUEXKC-QWRGUYRKSA-N
XLogP1.13
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.27
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S,5S)-2-cyclopenta-2,4-dien-1-yl-4,5-bis(methoxymethyl)-1,3-dioxolane?
The IUPAC name of (4S,5S)-2-cyclopenta-2,4-dien-1-yl-4,5-bis(methoxymethyl)-1,3-dioxolane (CID 101147589) is (4S,5S)-2-cyclopenta-2,4-dien-1-yl-4,5-bis(methoxymethyl)-1,3-dioxolane.
What is the SMILES notation for (4S,5S)-2-cyclopenta-2,4-dien-1-yl-4,5-bis(methoxymethyl)-1,3-dioxolane?
The canonical SMILES for (4S,5S)-2-cyclopenta-2,4-dien-1-yl-4,5-bis(methoxymethyl)-1,3-dioxolane is COC[C@@H]1OC(C2C=CC=C2)O[C@H]1COC.
What is the InChIKey of (4S,5S)-2-cyclopenta-2,4-dien-1-yl-4,5-bis(methoxymethyl)-1,3-dioxolane?
The InChIKey is AAFVCVOMZUEXKC-QWRGUYRKSA-N. The full InChI is InChI=1S/C12H18O4/c1-13-7-10-11(8-14-2)16-12(15-10)9-5-3-4-6-9/h3-6,9-12H,7-8H2,1-2H3/t10-,11-/m0/s1.
What are the key properties of (4S,5S)-2-cyclopenta-2,4-dien-1-yl-4,5-bis(methoxymethyl)-1,3-dioxolane?
(4S,5S)-2-cyclopenta-2,4-dien-1-yl-4,5-bis(methoxymethyl)-1,3-dioxolane has a molecular weight of 226.27 g/mol, XLogP of 1.13, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-2-cyclopenta-2,4-dien-1-yl-4,5-bis(methoxymethyl)-1,3-dioxolane is sourced from PubChem (CID 101147589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).