cis-methyl (1S,2R)-2-[2,4-bis(methoxymethoxy)phenyl]cyclopentane-1-carboxylate

C17H24O6 — CID 58862290

IUPACcis-methyl (1S,2R)-2-[2,4-bis(methoxymethoxy)phenyl]cyclopentane-1-carboxylate
SMILESCOCOc1ccc([C@@H]2CCC[C@@H]2C(=O)OC)c(OCOC)c1
InChIInChI=1S/C17H24O6/c1-19-10-22-12-7-8-14(16(9-12)23-11-20-2)13-5-4-6-15(13)17(18)21-3/h7-9,13,15H,4-6,10-11H2,1-3H3/t13-,15-/m0/s1
InChIKeyHMQGJZHNLBOVTC-ZFWWWQNUSA-N
MW324.37 g/mol
LogP2.71
Rot. Bonds8

About cis-methyl (1S,2R)-2-[2,4-bis(methoxymethoxy)phenyl]cyclopentane-1-carboxylate

cis-methyl (1S,2R)-2-[2,4-bis(methoxymethoxy)phenyl]cyclopentane-1-carboxylate (PubChem CID 58862290) has the molecular formula C17H24O6 and a molecular weight of 324.37 g/mol. Its IUPAC name is cis-methyl (1S,2R)-2-[2,4-bis(methoxymethoxy)phenyl]cyclopentane-1-carboxylate.

Molecular Properties

Compound Namecis-methyl (1S,2R)-2-[2,4-bis(methoxymethoxy)phenyl]cyclopentane-1-carboxylate
PubChem CID58862290
Molecular FormulaC17H24O6
Molecular Weight324.37 g/mol
Exact Mass324.16
IUPAC Namecis-methyl (1S,2R)-2-[2,4-bis(methoxymethoxy)phenyl]cyclopentane-1-carboxylate
SMILESCOCOc1ccc([C@@H]2CCC[C@@H]2C(=O)OC)c(OCOC)c1
InChIInChI=1S/C17H24O6/c1-19-10-22-12-7-8-14(16(9-12)23-11-20-2)13-5-4-6-15(13)17(18)21-3/h7-9,13,15H,4-6,10-11H2,1-3H3/t13-,15-/m0/s1
InChIKeyHMQGJZHNLBOVTC-ZFWWWQNUSA-N
XLogP2.71
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.37
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cis-methyl (1S,2R)-2-[2,4-bis(methoxymethoxy)phenyl]cyclopentane-1-carboxylate?
The IUPAC name of cis-methyl (1S,2R)-2-[2,4-bis(methoxymethoxy)phenyl]cyclopentane-1-carboxylate (CID 58862290) is cis-methyl (1S,2R)-2-[2,4-bis(methoxymethoxy)phenyl]cyclopentane-1-carboxylate.
What is the SMILES notation for cis-methyl (1S,2R)-2-[2,4-bis(methoxymethoxy)phenyl]cyclopentane-1-carboxylate?
The canonical SMILES for cis-methyl (1S,2R)-2-[2,4-bis(methoxymethoxy)phenyl]cyclopentane-1-carboxylate is COCOc1ccc([C@@H]2CCC[C@@H]2C(=O)OC)c(OCOC)c1.
What is the InChIKey of cis-methyl (1S,2R)-2-[2,4-bis(methoxymethoxy)phenyl]cyclopentane-1-carboxylate?
The InChIKey is HMQGJZHNLBOVTC-ZFWWWQNUSA-N. The full InChI is InChI=1S/C17H24O6/c1-19-10-22-12-7-8-14(16(9-12)23-11-20-2)13-5-4-6-15(13)17(18)21-3/h7-9,13,15H,4-6,10-11H2,1-3H3/t13-,15-/m0/s1.
What are the key properties of cis-methyl (1S,2R)-2-[2,4-bis(methoxymethoxy)phenyl]cyclopentane-1-carboxylate?
cis-methyl (1S,2R)-2-[2,4-bis(methoxymethoxy)phenyl]cyclopentane-1-carboxylate has a molecular weight of 324.37 g/mol, XLogP of 2.71, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cis-methyl (1S,2R)-2-[2,4-bis(methoxymethoxy)phenyl]cyclopentane-1-carboxylate is sourced from PubChem (CID 58862290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).