4-ethyl-2-propyl-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-4-ol

C11H20O3 — CID 73011386

IUPAC4-ethyl-2-propyl-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-4-ol
SMILESCCCC1OC2CCC(O)(CC)C2O1
InChIInChI=1S/C11H20O3/c1-3-5-9-13-8-6-7-11(12,4-2)10(8)14-9/h8-10,12H,3-7H2,1-2H3
InChIKeyAVOLLHWBSQWZTG-UHFFFAOYSA-N
MW200.28 g/mol
LogP1.83
Rot. Bonds3

About 4-ethyl-2-propyl-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-4-ol

4-ethyl-2-propyl-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-4-ol (PubChem CID 73011386) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is 4-ethyl-2-propyl-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-4-ol.

Molecular Properties

Compound Name4-ethyl-2-propyl-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-4-ol
PubChem CID73011386
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Name4-ethyl-2-propyl-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-4-ol
SMILESCCCC1OC2CCC(O)(CC)C2O1
InChIInChI=1S/C11H20O3/c1-3-5-9-13-8-6-7-11(12,4-2)10(8)14-9/h8-10,12H,3-7H2,1-2H3
InChIKeyAVOLLHWBSQWZTG-UHFFFAOYSA-N
XLogP1.83
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-propyl-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-4-ol?
The IUPAC name of 4-ethyl-2-propyl-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-4-ol (CID 73011386) is 4-ethyl-2-propyl-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-4-ol.
What is the SMILES notation for 4-ethyl-2-propyl-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-4-ol?
The canonical SMILES for 4-ethyl-2-propyl-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-4-ol is CCCC1OC2CCC(O)(CC)C2O1.
What is the InChIKey of 4-ethyl-2-propyl-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-4-ol?
The InChIKey is AVOLLHWBSQWZTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3/c1-3-5-9-13-8-6-7-11(12,4-2)10(8)14-9/h8-10,12H,3-7H2,1-2H3.
What are the key properties of 4-ethyl-2-propyl-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-4-ol?
4-ethyl-2-propyl-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-4-ol has a molecular weight of 200.28 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-propyl-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-4-ol is sourced from PubChem (CID 73011386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).