trans-tert-butyl (1S,3S)-3-hydroxycyclopentane-1-carboxylate

C10H18O3 — CID 14009992

IUPACtrans-tert-butyl (1S,3S)-3-hydroxycyclopentane-1-carboxylate
SMILESCC(C)(C)OC(=O)[C@H]1CC[C@H](O)C1
InChIInChI=1S/C10H18O3/c1-10(2,3)13-9(12)7-4-5-8(11)6-7/h7-8,11H,4-6H2,1-3H3/t7-,8-/m0/s1
InChIKeyWMCJHERERQKJIB-YUMQZZPRSA-N
MW186.25 g/mol
LogP1.49
Rot. Bonds1

About trans-tert-butyl (1S,3S)-3-hydroxycyclopentane-1-carboxylate

trans-tert-butyl (1S,3S)-3-hydroxycyclopentane-1-carboxylate (PubChem CID 14009992) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is trans-tert-butyl (1S,3S)-3-hydroxycyclopentane-1-carboxylate.

Molecular Properties

Compound Nametrans-tert-butyl (1S,3S)-3-hydroxycyclopentane-1-carboxylate
PubChem CID14009992
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Nametrans-tert-butyl (1S,3S)-3-hydroxycyclopentane-1-carboxylate
SMILESCC(C)(C)OC(=O)[C@H]1CC[C@H](O)C1
InChIInChI=1S/C10H18O3/c1-10(2,3)13-9(12)7-4-5-8(11)6-7/h7-8,11H,4-6H2,1-3H3/t7-,8-/m0/s1
InChIKeyWMCJHERERQKJIB-YUMQZZPRSA-N
XLogP1.49
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of trans-tert-butyl (1S,3S)-3-hydroxycyclopentane-1-carboxylate?
The IUPAC name of trans-tert-butyl (1S,3S)-3-hydroxycyclopentane-1-carboxylate (CID 14009992) is trans-tert-butyl (1S,3S)-3-hydroxycyclopentane-1-carboxylate.
What is the SMILES notation for trans-tert-butyl (1S,3S)-3-hydroxycyclopentane-1-carboxylate?
The canonical SMILES for trans-tert-butyl (1S,3S)-3-hydroxycyclopentane-1-carboxylate is CC(C)(C)OC(=O)[C@H]1CC[C@H](O)C1.
What is the InChIKey of trans-tert-butyl (1S,3S)-3-hydroxycyclopentane-1-carboxylate?
The InChIKey is WMCJHERERQKJIB-YUMQZZPRSA-N. The full InChI is InChI=1S/C10H18O3/c1-10(2,3)13-9(12)7-4-5-8(11)6-7/h7-8,11H,4-6H2,1-3H3/t7-,8-/m0/s1.
What are the key properties of trans-tert-butyl (1S,3S)-3-hydroxycyclopentane-1-carboxylate?
trans-tert-butyl (1S,3S)-3-hydroxycyclopentane-1-carboxylate has a molecular weight of 186.25 g/mol, XLogP of 1.49, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-tert-butyl (1S,3S)-3-hydroxycyclopentane-1-carboxylate is sourced from PubChem (CID 14009992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).