(3aR,6S,6aS)-3,3-dimethyl-6-(oxan-2-yloxymethyl)-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-5-ol

C15H26O4 — CID 134970804

IUPAC(3aR,6S,6aS)-3,3-dimethyl-6-(oxan-2-yloxymethyl)-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-5-ol
SMILESCC1(C)OC[C@@H]2[C@H]1CC(O)[C@@H]2COC1CCCCO1
InChIInChI=1S/C15H26O4/c1-15(2)12-7-13(16)11(10(12)9-19-15)8-18-14-5-3-4-6-17-14/h10-14,16H,3-9H2,1-2H3/t10-,11+,12+,13?,14?/m0/s1
InChIKeyNSGXMNWGNPXVIF-KVDSNEOGSA-N
MW270.37 g/mol
LogP1.95
Rot. Bonds3

About (3aR,6S,6aS)-3,3-dimethyl-6-(oxan-2-yloxymethyl)-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-5-ol

(3aR,6S,6aS)-3,3-dimethyl-6-(oxan-2-yloxymethyl)-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-5-ol (PubChem CID 134970804) has the molecular formula C15H26O4 and a molecular weight of 270.37 g/mol. Its IUPAC name is (3aR,6S,6aS)-3,3-dimethyl-6-(oxan-2-yloxymethyl)-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-5-ol.

Molecular Properties

Compound Name(3aR,6S,6aS)-3,3-dimethyl-6-(oxan-2-yloxymethyl)-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-5-ol
PubChem CID134970804
Molecular FormulaC15H26O4
Molecular Weight270.37 g/mol
Exact Mass270.18
IUPAC Name(3aR,6S,6aS)-3,3-dimethyl-6-(oxan-2-yloxymethyl)-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-5-ol
SMILESCC1(C)OC[C@@H]2[C@H]1CC(O)[C@@H]2COC1CCCCO1
InChIInChI=1S/C15H26O4/c1-15(2)12-7-13(16)11(10(12)9-19-15)8-18-14-5-3-4-6-17-14/h10-14,16H,3-9H2,1-2H3/t10-,11+,12+,13?,14?/m0/s1
InChIKeyNSGXMNWGNPXVIF-KVDSNEOGSA-N
XLogP1.95
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3aR,6S,6aS)-3,3-dimethyl-6-(oxan-2-yloxymethyl)-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-5-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3aR,6S,6aS)-3,3-dimethyl-6-(oxan-2-yloxymethyl)-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-5-ol?
The IUPAC name of (3aR,6S,6aS)-3,3-dimethyl-6-(oxan-2-yloxymethyl)-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-5-ol (CID 134970804) is (3aR,6S,6aS)-3,3-dimethyl-6-(oxan-2-yloxymethyl)-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-5-ol.
What is the SMILES notation for (3aR,6S,6aS)-3,3-dimethyl-6-(oxan-2-yloxymethyl)-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-5-ol?
The canonical SMILES for (3aR,6S,6aS)-3,3-dimethyl-6-(oxan-2-yloxymethyl)-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-5-ol is CC1(C)OC[C@@H]2[C@H]1CC(O)[C@@H]2COC1CCCCO1.
What is the InChIKey of (3aR,6S,6aS)-3,3-dimethyl-6-(oxan-2-yloxymethyl)-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-5-ol?
The InChIKey is NSGXMNWGNPXVIF-KVDSNEOGSA-N. The full InChI is InChI=1S/C15H26O4/c1-15(2)12-7-13(16)11(10(12)9-19-15)8-18-14-5-3-4-6-17-14/h10-14,16H,3-9H2,1-2H3/t10-,11+,12+,13?,14?/m0/s1.
What are the key properties of (3aR,6S,6aS)-3,3-dimethyl-6-(oxan-2-yloxymethyl)-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-5-ol?
(3aR,6S,6aS)-3,3-dimethyl-6-(oxan-2-yloxymethyl)-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-5-ol has a molecular weight of 270.37 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6S,6aS)-3,3-dimethyl-6-(oxan-2-yloxymethyl)-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-5-ol is sourced from PubChem (CID 134970804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).