[(3R)-4,4-dimethyl-2-oxooxolan-3-yl] (1R)-5-methoxy-1,2,3,4-tetrahydronaphthalene-1-carboxylate

C18H22O5 — CID 10663350

IUPAC[(3R)-4,4-dimethyl-2-oxooxolan-3-yl] (1R)-5-methoxy-1,2,3,4-tetrahydronaphthalene-1-carboxylate
SMILESCOc1cccc2c1CCC[C@H]2C(=O)O[C@H]1C(=O)OCC1(C)C
InChIInChI=1S/C18H22O5/c1-18(2)10-22-17(20)15(18)23-16(19)13-8-4-7-12-11(13)6-5-9-14(12)21-3/h5-6,9,13,15H,4,7-8,10H2,1-3H3/t13-,15+/m1/s1
InChIKeyJUXGSWJGRMPSNX-HIFRSBDPSA-N
MW318.37 g/mol
LogP2.61
Rot. Bonds3

About [(3R)-4,4-dimethyl-2-oxooxolan-3-yl] (1R)-5-methoxy-1,2,3,4-tetrahydronaphthalene-1-carboxylate

[(3R)-4,4-dimethyl-2-oxooxolan-3-yl] (1R)-5-methoxy-1,2,3,4-tetrahydronaphthalene-1-carboxylate (PubChem CID 10663350) has the molecular formula C18H22O5 and a molecular weight of 318.37 g/mol. Its IUPAC name is [(3R)-4,4-dimethyl-2-oxooxolan-3-yl] (1R)-5-methoxy-1,2,3,4-tetrahydronaphthalene-1-carboxylate.

Molecular Properties

Compound Name[(3R)-4,4-dimethyl-2-oxooxolan-3-yl] (1R)-5-methoxy-1,2,3,4-tetrahydronaphthalene-1-carboxylate
PubChem CID10663350
Molecular FormulaC18H22O5
Molecular Weight318.37 g/mol
Exact Mass318.15
IUPAC Name[(3R)-4,4-dimethyl-2-oxooxolan-3-yl] (1R)-5-methoxy-1,2,3,4-tetrahydronaphthalene-1-carboxylate
SMILESCOc1cccc2c1CCC[C@H]2C(=O)O[C@H]1C(=O)OCC1(C)C
InChIInChI=1S/C18H22O5/c1-18(2)10-22-17(20)15(18)23-16(19)13-8-4-7-12-11(13)6-5-9-14(12)21-3/h5-6,9,13,15H,4,7-8,10H2,1-3H3/t13-,15+/m1/s1
InChIKeyJUXGSWJGRMPSNX-HIFRSBDPSA-N
XLogP2.61
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(3R)-4,4-dimethyl-2-oxooxolan-3-yl] (1R)-5-methoxy-1,2,3,4-tetrahydronaphthalene-1-carboxylate?
The IUPAC name of [(3R)-4,4-dimethyl-2-oxooxolan-3-yl] (1R)-5-methoxy-1,2,3,4-tetrahydronaphthalene-1-carboxylate (CID 10663350) is [(3R)-4,4-dimethyl-2-oxooxolan-3-yl] (1R)-5-methoxy-1,2,3,4-tetrahydronaphthalene-1-carboxylate.
What is the SMILES notation for [(3R)-4,4-dimethyl-2-oxooxolan-3-yl] (1R)-5-methoxy-1,2,3,4-tetrahydronaphthalene-1-carboxylate?
The canonical SMILES for [(3R)-4,4-dimethyl-2-oxooxolan-3-yl] (1R)-5-methoxy-1,2,3,4-tetrahydronaphthalene-1-carboxylate is COc1cccc2c1CCC[C@H]2C(=O)O[C@H]1C(=O)OCC1(C)C.
What is the InChIKey of [(3R)-4,4-dimethyl-2-oxooxolan-3-yl] (1R)-5-methoxy-1,2,3,4-tetrahydronaphthalene-1-carboxylate?
The InChIKey is JUXGSWJGRMPSNX-HIFRSBDPSA-N. The full InChI is InChI=1S/C18H22O5/c1-18(2)10-22-17(20)15(18)23-16(19)13-8-4-7-12-11(13)6-5-9-14(12)21-3/h5-6,9,13,15H,4,7-8,10H2,1-3H3/t13-,15+/m1/s1.
What are the key properties of [(3R)-4,4-dimethyl-2-oxooxolan-3-yl] (1R)-5-methoxy-1,2,3,4-tetrahydronaphthalene-1-carboxylate?
[(3R)-4,4-dimethyl-2-oxooxolan-3-yl] (1R)-5-methoxy-1,2,3,4-tetrahydronaphthalene-1-carboxylate has a molecular weight of 318.37 g/mol, XLogP of 2.61, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-4,4-dimethyl-2-oxooxolan-3-yl] (1R)-5-methoxy-1,2,3,4-tetrahydronaphthalene-1-carboxylate is sourced from PubChem (CID 10663350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).