(4R,6S)-4-(hydroxymethyl)-2,2,3a-trimethyl-4,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-6-ol

C10H18O4 — CID 134832532

IUPAC(4R,6S)-4-(hydroxymethyl)-2,2,3a-trimethyl-4,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-6-ol
SMILESCC1(C)OC2[C@@H](O)C[C@H](CO)C2(C)O1
InChIInChI=1S/C10H18O4/c1-9(2)13-8-7(12)4-6(5-11)10(8,3)14-9/h6-8,11-12H,4-5H2,1-3H3/t6-,7+,8?,10?/m1/s1
InChIKeyDPLGWKPXPMFKER-CCSIGSMKSA-N
MW202.25 g/mol
LogP0.27
Rot. Bonds1

About (4R,6S)-4-(hydroxymethyl)-2,2,3a-trimethyl-4,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-6-ol

(4R,6S)-4-(hydroxymethyl)-2,2,3a-trimethyl-4,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-6-ol (PubChem CID 134832532) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is (4R,6S)-4-(hydroxymethyl)-2,2,3a-trimethyl-4,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-6-ol.

Molecular Properties

Compound Name(4R,6S)-4-(hydroxymethyl)-2,2,3a-trimethyl-4,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-6-ol
PubChem CID134832532
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Name(4R,6S)-4-(hydroxymethyl)-2,2,3a-trimethyl-4,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-6-ol
SMILESCC1(C)OC2[C@@H](O)C[C@H](CO)C2(C)O1
InChIInChI=1S/C10H18O4/c1-9(2)13-8-7(12)4-6(5-11)10(8,3)14-9/h6-8,11-12H,4-5H2,1-3H3/t6-,7+,8?,10?/m1/s1
InChIKeyDPLGWKPXPMFKER-CCSIGSMKSA-N
XLogP0.27
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4R,6S)-4-(hydroxymethyl)-2,2,3a-trimethyl-4,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-6-ol?
The IUPAC name of (4R,6S)-4-(hydroxymethyl)-2,2,3a-trimethyl-4,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-6-ol (CID 134832532) is (4R,6S)-4-(hydroxymethyl)-2,2,3a-trimethyl-4,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-6-ol.
What is the SMILES notation for (4R,6S)-4-(hydroxymethyl)-2,2,3a-trimethyl-4,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-6-ol?
The canonical SMILES for (4R,6S)-4-(hydroxymethyl)-2,2,3a-trimethyl-4,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-6-ol is CC1(C)OC2[C@@H](O)C[C@H](CO)C2(C)O1.
What is the InChIKey of (4R,6S)-4-(hydroxymethyl)-2,2,3a-trimethyl-4,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-6-ol?
The InChIKey is DPLGWKPXPMFKER-CCSIGSMKSA-N. The full InChI is InChI=1S/C10H18O4/c1-9(2)13-8-7(12)4-6(5-11)10(8,3)14-9/h6-8,11-12H,4-5H2,1-3H3/t6-,7+,8?,10?/m1/s1.
What are the key properties of (4R,6S)-4-(hydroxymethyl)-2,2,3a-trimethyl-4,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-6-ol?
(4R,6S)-4-(hydroxymethyl)-2,2,3a-trimethyl-4,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-6-ol has a molecular weight of 202.25 g/mol, XLogP of 0.27, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,6S)-4-(hydroxymethyl)-2,2,3a-trimethyl-4,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-6-ol is sourced from PubChem (CID 134832532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).