(3aR,6R,6aR)-6-cyclopenta-2,4-dien-1-yl-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole

C17H24O5 — CID 10368793

IUPAC(3aR,6R,6aR)-6-cyclopenta-2,4-dien-1-yl-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole
SMILESCC1(C)O[C@H]2OC([C@@H]3COC(C)(C)O3)[C@@H](C3C=CC=C3)[C@H]2O1
InChIInChI=1S/C17H24O5/c1-16(2)18-9-11(20-16)13-12(10-7-5-6-8-10)14-15(19-13)22-17(3,4)21-14/h5-8,10-15H,9H2,1-4H3/t11-,12+,13?,14+,15+/m0/s1
InChIKeyXWGJQTNRLOWCJH-KEKZVJSRSA-N
MW308.37 g/mol
LogP2.37
Rot. Bonds2

About (3aR,6R,6aR)-6-cyclopenta-2,4-dien-1-yl-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole

(3aR,6R,6aR)-6-cyclopenta-2,4-dien-1-yl-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole (PubChem CID 10368793) has the molecular formula C17H24O5 and a molecular weight of 308.37 g/mol. Its IUPAC name is (3aR,6R,6aR)-6-cyclopenta-2,4-dien-1-yl-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole.

Molecular Properties

Compound Name(3aR,6R,6aR)-6-cyclopenta-2,4-dien-1-yl-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole
PubChem CID10368793
Molecular FormulaC17H24O5
Molecular Weight308.37 g/mol
Exact Mass308.16
IUPAC Name(3aR,6R,6aR)-6-cyclopenta-2,4-dien-1-yl-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole
SMILESCC1(C)O[C@H]2OC([C@@H]3COC(C)(C)O3)[C@@H](C3C=CC=C3)[C@H]2O1
InChIInChI=1S/C17H24O5/c1-16(2)18-9-11(20-16)13-12(10-7-5-6-8-10)14-15(19-13)22-17(3,4)21-14/h5-8,10-15H,9H2,1-4H3/t11-,12+,13?,14+,15+/m0/s1
InChIKeyXWGJQTNRLOWCJH-KEKZVJSRSA-N
XLogP2.37
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.37
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3aR,6R,6aR)-6-cyclopenta-2,4-dien-1-yl-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3aR,6R,6aR)-6-cyclopenta-2,4-dien-1-yl-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole?
The IUPAC name of (3aR,6R,6aR)-6-cyclopenta-2,4-dien-1-yl-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole (CID 10368793) is (3aR,6R,6aR)-6-cyclopenta-2,4-dien-1-yl-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole.
What is the SMILES notation for (3aR,6R,6aR)-6-cyclopenta-2,4-dien-1-yl-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole?
The canonical SMILES for (3aR,6R,6aR)-6-cyclopenta-2,4-dien-1-yl-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole is CC1(C)O[C@H]2OC([C@@H]3COC(C)(C)O3)[C@@H](C3C=CC=C3)[C@H]2O1.
What is the InChIKey of (3aR,6R,6aR)-6-cyclopenta-2,4-dien-1-yl-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole?
The InChIKey is XWGJQTNRLOWCJH-KEKZVJSRSA-N. The full InChI is InChI=1S/C17H24O5/c1-16(2)18-9-11(20-16)13-12(10-7-5-6-8-10)14-15(19-13)22-17(3,4)21-14/h5-8,10-15H,9H2,1-4H3/t11-,12+,13?,14+,15+/m0/s1.
What are the key properties of (3aR,6R,6aR)-6-cyclopenta-2,4-dien-1-yl-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole?
(3aR,6R,6aR)-6-cyclopenta-2,4-dien-1-yl-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole has a molecular weight of 308.37 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6R,6aR)-6-cyclopenta-2,4-dien-1-yl-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole is sourced from PubChem (CID 10368793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).