[(2R)-5-methyl-2-propan-2-ylcyclohexyl] (2S)-2-ethyl-4,4-dimethyloxetane-2-carboxylate

C18H32O3 — CID 70835863

IUPAC[(2R)-5-methyl-2-propan-2-ylcyclohexyl] (2S)-2-ethyl-4,4-dimethyloxetane-2-carboxylate
SMILESCC[C@@]1(C(=O)OC2CC(C)CC[C@@H]2C(C)C)CC(C)(C)O1
InChIInChI=1S/C18H32O3/c1-7-18(11-17(5,6)21-18)16(19)20-15-10-13(4)8-9-14(15)12(2)3/h12-15H,7-11H2,1-6H3/t13?,14-,15?,18+/m1/s1
InChIKeyUKFQLPFTMIHNCR-UUDIZGDISA-N
MW296.45 g/mol
LogP4.34
Rot. Bonds4

About [(2R)-5-methyl-2-propan-2-ylcyclohexyl] (2S)-2-ethyl-4,4-dimethyloxetane-2-carboxylate

[(2R)-5-methyl-2-propan-2-ylcyclohexyl] (2S)-2-ethyl-4,4-dimethyloxetane-2-carboxylate (PubChem CID 70835863) has the molecular formula C18H32O3 and a molecular weight of 296.45 g/mol. Its IUPAC name is [(2R)-5-methyl-2-propan-2-ylcyclohexyl] (2S)-2-ethyl-4,4-dimethyloxetane-2-carboxylate.

Molecular Properties

Compound Name[(2R)-5-methyl-2-propan-2-ylcyclohexyl] (2S)-2-ethyl-4,4-dimethyloxetane-2-carboxylate
PubChem CID70835863
Molecular FormulaC18H32O3
Molecular Weight296.45 g/mol
Exact Mass296.24
IUPAC Name[(2R)-5-methyl-2-propan-2-ylcyclohexyl] (2S)-2-ethyl-4,4-dimethyloxetane-2-carboxylate
SMILESCC[C@@]1(C(=O)OC2CC(C)CC[C@@H]2C(C)C)CC(C)(C)O1
InChIInChI=1S/C18H32O3/c1-7-18(11-17(5,6)21-18)16(19)20-15-10-13(4)8-9-14(15)12(2)3/h12-15H,7-11H2,1-6H3/t13?,14-,15?,18+/m1/s1
InChIKeyUKFQLPFTMIHNCR-UUDIZGDISA-N
XLogP4.34
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2R)-5-methyl-2-propan-2-ylcyclohexyl] (2S)-2-ethyl-4,4-dimethyloxetane-2-carboxylate?
The IUPAC name of [(2R)-5-methyl-2-propan-2-ylcyclohexyl] (2S)-2-ethyl-4,4-dimethyloxetane-2-carboxylate (CID 70835863) is [(2R)-5-methyl-2-propan-2-ylcyclohexyl] (2S)-2-ethyl-4,4-dimethyloxetane-2-carboxylate.
What is the SMILES notation for [(2R)-5-methyl-2-propan-2-ylcyclohexyl] (2S)-2-ethyl-4,4-dimethyloxetane-2-carboxylate?
The canonical SMILES for [(2R)-5-methyl-2-propan-2-ylcyclohexyl] (2S)-2-ethyl-4,4-dimethyloxetane-2-carboxylate is CC[C@@]1(C(=O)OC2CC(C)CC[C@@H]2C(C)C)CC(C)(C)O1.
What is the InChIKey of [(2R)-5-methyl-2-propan-2-ylcyclohexyl] (2S)-2-ethyl-4,4-dimethyloxetane-2-carboxylate?
The InChIKey is UKFQLPFTMIHNCR-UUDIZGDISA-N. The full InChI is InChI=1S/C18H32O3/c1-7-18(11-17(5,6)21-18)16(19)20-15-10-13(4)8-9-14(15)12(2)3/h12-15H,7-11H2,1-6H3/t13?,14-,15?,18+/m1/s1.
What are the key properties of [(2R)-5-methyl-2-propan-2-ylcyclohexyl] (2S)-2-ethyl-4,4-dimethyloxetane-2-carboxylate?
[(2R)-5-methyl-2-propan-2-ylcyclohexyl] (2S)-2-ethyl-4,4-dimethyloxetane-2-carboxylate has a molecular weight of 296.45 g/mol, XLogP of 4.34, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-5-methyl-2-propan-2-ylcyclohexyl] (2S)-2-ethyl-4,4-dimethyloxetane-2-carboxylate is sourced from PubChem (CID 70835863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).