3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-5-yl methyl carbonate

C9H14O4 — CID 67907848

IUPAC3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-5-yl methyl carbonate
SMILESCOC(=O)OC1CC2COCC2C1
InChIInChI=1S/C9H14O4/c1-11-9(10)13-8-2-6-4-12-5-7(6)3-8/h6-8H,2-5H2,1H3
InChIKeyQIHPDUBJNKQKDH-UHFFFAOYSA-N
MW186.21 g/mol
LogP1.19
Rot. Bonds1

About 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-5-yl methyl carbonate

3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-5-yl methyl carbonate (PubChem CID 67907848) has the molecular formula C9H14O4 and a molecular weight of 186.21 g/mol. Its IUPAC name is 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-5-yl methyl carbonate.

Molecular Properties

Compound Name3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-5-yl methyl carbonate
PubChem CID67907848
Molecular FormulaC9H14O4
Molecular Weight186.21 g/mol
Exact Mass186.09
IUPAC Name3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-5-yl methyl carbonate
SMILESCOC(=O)OC1CC2COCC2C1
InChIInChI=1S/C9H14O4/c1-11-9(10)13-8-2-6-4-12-5-7(6)3-8/h6-8H,2-5H2,1H3
InChIKeyQIHPDUBJNKQKDH-UHFFFAOYSA-N
XLogP1.19
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Hexahydro-1h-cyclopenta[c]furan-5-yl acetate
CID 72444524
5-methoxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan
CID 14310363
[(3aR,6aS)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-5-yl] acetate
CID 58853136
3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-5-yl hydrogen carbonate
CID 67908070
(3aS,6aR)-4-(1-methoxyethoxymethyl)-2-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan
CID 146209468
(5-Methoxycarbonyloxy-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl) methyl carbonate
CID 153978551
(3aR,6aR)-5-methoxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan
CID 167054957
(3aS,6aS)-5,5-dimethoxy-1,3,3a,4,6,6a-hexahydrocyclopenta[c]furan
CID 131850276
[(1R)-9-methyl-3,5-dioxatricyclo[5.2.1.04,8]decan-10-yl] formate
CID 144962155
3-ethoxy-6-methoxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan
CID 144962164

Frequently Asked Questions

What is the IUPAC name of 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-5-yl methyl carbonate?
The IUPAC name of 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-5-yl methyl carbonate (CID 67907848) is 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-5-yl methyl carbonate.
What is the SMILES notation for 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-5-yl methyl carbonate?
The canonical SMILES for 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-5-yl methyl carbonate is COC(=O)OC1CC2COCC2C1.
What is the InChIKey of 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-5-yl methyl carbonate?
The InChIKey is QIHPDUBJNKQKDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O4/c1-11-9(10)13-8-2-6-4-12-5-7(6)3-8/h6-8H,2-5H2,1H3.
What are the key properties of 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-5-yl methyl carbonate?
3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-5-yl methyl carbonate has a molecular weight of 186.21 g/mol, XLogP of 1.19, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-5-yl methyl carbonate is sourced from PubChem (CID 67907848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).