[(3R)-3-methyl-1-propan-2-ylcyclohexyl] 2-[2-(2-methoxyethoxy)ethoxy]acetate

C17H32O5 — CID 18710600

IUPAC[(3R)-3-methyl-1-propan-2-ylcyclohexyl] 2-[2-(2-methoxyethoxy)ethoxy]acetate
SMILESCOCCOCCOCC(=O)OC1(C(C)C)CCC[C@@H](C)C1
InChIInChI=1S/C17H32O5/c1-14(2)17(7-5-6-15(3)12-17)22-16(18)13-21-11-10-20-9-8-19-4/h14-15H,5-13H2,1-4H3/t15-,17?/m1/s1
InChIKeyQQOXYSIHWRONTH-LDCVWXEPSA-N
MW316.44 g/mol
LogP2.81
Rot. Bonds10

About [(3R)-3-methyl-1-propan-2-ylcyclohexyl] 2-[2-(2-methoxyethoxy)ethoxy]acetate

[(3R)-3-methyl-1-propan-2-ylcyclohexyl] 2-[2-(2-methoxyethoxy)ethoxy]acetate (PubChem CID 18710600) has the molecular formula C17H32O5 and a molecular weight of 316.44 g/mol. Its IUPAC name is [(3R)-3-methyl-1-propan-2-ylcyclohexyl] 2-[2-(2-methoxyethoxy)ethoxy]acetate.

Molecular Properties

Compound Name[(3R)-3-methyl-1-propan-2-ylcyclohexyl] 2-[2-(2-methoxyethoxy)ethoxy]acetate
PubChem CID18710600
Molecular FormulaC17H32O5
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC Name[(3R)-3-methyl-1-propan-2-ylcyclohexyl] 2-[2-(2-methoxyethoxy)ethoxy]acetate
SMILESCOCCOCCOCC(=O)OC1(C(C)C)CCC[C@@H](C)C1
InChIInChI=1S/C17H32O5/c1-14(2)17(7-5-6-15(3)12-17)22-16(18)13-21-11-10-20-9-8-19-4/h14-15H,5-13H2,1-4H3/t15-,17?/m1/s1
InChIKeyQQOXYSIHWRONTH-LDCVWXEPSA-N
XLogP2.81
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(3R)-3-methyl-1-propan-2-ylcyclohexyl] 2-[2-(2-methoxyethoxy)ethoxy]acetate?
The IUPAC name of [(3R)-3-methyl-1-propan-2-ylcyclohexyl] 2-[2-(2-methoxyethoxy)ethoxy]acetate (CID 18710600) is [(3R)-3-methyl-1-propan-2-ylcyclohexyl] 2-[2-(2-methoxyethoxy)ethoxy]acetate.
What is the SMILES notation for [(3R)-3-methyl-1-propan-2-ylcyclohexyl] 2-[2-(2-methoxyethoxy)ethoxy]acetate?
The canonical SMILES for [(3R)-3-methyl-1-propan-2-ylcyclohexyl] 2-[2-(2-methoxyethoxy)ethoxy]acetate is COCCOCCOCC(=O)OC1(C(C)C)CCC[C@@H](C)C1.
What is the InChIKey of [(3R)-3-methyl-1-propan-2-ylcyclohexyl] 2-[2-(2-methoxyethoxy)ethoxy]acetate?
The InChIKey is QQOXYSIHWRONTH-LDCVWXEPSA-N. The full InChI is InChI=1S/C17H32O5/c1-14(2)17(7-5-6-15(3)12-17)22-16(18)13-21-11-10-20-9-8-19-4/h14-15H,5-13H2,1-4H3/t15-,17?/m1/s1.
What are the key properties of [(3R)-3-methyl-1-propan-2-ylcyclohexyl] 2-[2-(2-methoxyethoxy)ethoxy]acetate?
[(3R)-3-methyl-1-propan-2-ylcyclohexyl] 2-[2-(2-methoxyethoxy)ethoxy]acetate has a molecular weight of 316.44 g/mol, XLogP of 2.81, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-methyl-1-propan-2-ylcyclohexyl] 2-[2-(2-methoxyethoxy)ethoxy]acetate is sourced from PubChem (CID 18710600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).