trans-tert-butyl (1R,3R)-3-(hydroxymethyl)cyclopentane-1-carboxylate

C11H20O3 — CID 129405365

IUPACtrans-tert-butyl (1R,3R)-3-(hydroxymethyl)cyclopentane-1-carboxylate
SMILESCC(C)(C)OC(=O)[C@@H]1CC[C@@H](CO)C1
InChIInChI=1S/C11H20O3/c1-11(2,3)14-10(13)9-5-4-8(6-9)7-12/h8-9,12H,4-7H2,1-3H3/t8-,9-/m1/s1
InChIKeyLUNDLKGGAIWLSU-RKDXNWHRSA-N
MW200.28 g/mol
LogP1.74
Rot. Bonds2

About trans-tert-butyl (1R,3R)-3-(hydroxymethyl)cyclopentane-1-carboxylate

trans-tert-butyl (1R,3R)-3-(hydroxymethyl)cyclopentane-1-carboxylate (PubChem CID 129405365) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is trans-tert-butyl (1R,3R)-3-(hydroxymethyl)cyclopentane-1-carboxylate.

Molecular Properties

Compound Nametrans-tert-butyl (1R,3R)-3-(hydroxymethyl)cyclopentane-1-carboxylate
PubChem CID129405365
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Nametrans-tert-butyl (1R,3R)-3-(hydroxymethyl)cyclopentane-1-carboxylate
SMILESCC(C)(C)OC(=O)[C@@H]1CC[C@@H](CO)C1
InChIInChI=1S/C11H20O3/c1-11(2,3)14-10(13)9-5-4-8(6-9)7-12/h8-9,12H,4-7H2,1-3H3/t8-,9-/m1/s1
InChIKeyLUNDLKGGAIWLSU-RKDXNWHRSA-N
XLogP1.74
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of trans-tert-butyl (1R,3R)-3-(hydroxymethyl)cyclopentane-1-carboxylate?
The IUPAC name of trans-tert-butyl (1R,3R)-3-(hydroxymethyl)cyclopentane-1-carboxylate (CID 129405365) is trans-tert-butyl (1R,3R)-3-(hydroxymethyl)cyclopentane-1-carboxylate.
What is the SMILES notation for trans-tert-butyl (1R,3R)-3-(hydroxymethyl)cyclopentane-1-carboxylate?
The canonical SMILES for trans-tert-butyl (1R,3R)-3-(hydroxymethyl)cyclopentane-1-carboxylate is CC(C)(C)OC(=O)[C@@H]1CC[C@@H](CO)C1.
What is the InChIKey of trans-tert-butyl (1R,3R)-3-(hydroxymethyl)cyclopentane-1-carboxylate?
The InChIKey is LUNDLKGGAIWLSU-RKDXNWHRSA-N. The full InChI is InChI=1S/C11H20O3/c1-11(2,3)14-10(13)9-5-4-8(6-9)7-12/h8-9,12H,4-7H2,1-3H3/t8-,9-/m1/s1.
What are the key properties of trans-tert-butyl (1R,3R)-3-(hydroxymethyl)cyclopentane-1-carboxylate?
trans-tert-butyl (1R,3R)-3-(hydroxymethyl)cyclopentane-1-carboxylate has a molecular weight of 200.28 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-tert-butyl (1R,3R)-3-(hydroxymethyl)cyclopentane-1-carboxylate is sourced from PubChem (CID 129405365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).