(4R,6aR)-5-methoxy-4-(methoxymethyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol

C10H18O4 — CID 58400407

IUPAC(4R,6aR)-5-methoxy-4-(methoxymethyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol
SMILESCOC[C@@H]1C(OC)C[C@H]2OC(O)CC12
InChIInChI=1S/C10H18O4/c1-12-5-7-6-3-10(11)14-9(6)4-8(7)13-2/h6-11H,3-5H2,1-2H3/t6?,7-,8?,9+,10?/m0/s1
InChIKeyJHKJONPBHKHCTR-VHVWPASRSA-N
MW202.25 g/mol
LogP0.39
Rot. Bonds3

About (4R,6aR)-5-methoxy-4-(methoxymethyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol

(4R,6aR)-5-methoxy-4-(methoxymethyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol (PubChem CID 58400407) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is (4R,6aR)-5-methoxy-4-(methoxymethyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol.

Molecular Properties

Compound Name(4R,6aR)-5-methoxy-4-(methoxymethyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol
PubChem CID58400407
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Name(4R,6aR)-5-methoxy-4-(methoxymethyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol
SMILESCOC[C@@H]1C(OC)C[C@H]2OC(O)CC12
InChIInChI=1S/C10H18O4/c1-12-5-7-6-3-10(11)14-9(6)4-8(7)13-2/h6-11H,3-5H2,1-2H3/t6?,7-,8?,9+,10?/m0/s1
InChIKeyJHKJONPBHKHCTR-VHVWPASRSA-N
XLogP0.39
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4R,6aR)-5-methoxy-4-(methoxymethyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol?
The IUPAC name of (4R,6aR)-5-methoxy-4-(methoxymethyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol (CID 58400407) is (4R,6aR)-5-methoxy-4-(methoxymethyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol.
What is the SMILES notation for (4R,6aR)-5-methoxy-4-(methoxymethyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol?
The canonical SMILES for (4R,6aR)-5-methoxy-4-(methoxymethyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol is COC[C@@H]1C(OC)C[C@H]2OC(O)CC12.
What is the InChIKey of (4R,6aR)-5-methoxy-4-(methoxymethyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol?
The InChIKey is JHKJONPBHKHCTR-VHVWPASRSA-N. The full InChI is InChI=1S/C10H18O4/c1-12-5-7-6-3-10(11)14-9(6)4-8(7)13-2/h6-11H,3-5H2,1-2H3/t6?,7-,8?,9+,10?/m0/s1.
What are the key properties of (4R,6aR)-5-methoxy-4-(methoxymethyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol?
(4R,6aR)-5-methoxy-4-(methoxymethyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol has a molecular weight of 202.25 g/mol, XLogP of 0.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,6aR)-5-methoxy-4-(methoxymethyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol is sourced from PubChem (CID 58400407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).