(1R,7S)-4-tert-butyl-10-oxabicyclo[5.2.1]decan-4-ol

C13H24O2 — CID 66553029

IUPAC(1R,7S)-4-tert-butyl-10-oxabicyclo[5.2.1]decan-4-ol
SMILESCC(C)(C)C1(O)CC[C@H]2CC[C@@H](CC1)O2
InChIInChI=1S/C13H24O2/c1-12(2,3)13(14)8-6-10-4-5-11(15-10)7-9-13/h10-11,14H,4-9H2,1-3H3/t10-,11+,13?
InChIKeyKGBDBMQVSKEPIP-QYJAPNMZSA-N
MW212.33 g/mol
LogP2.89
Rot. Bonds

About (1R,7S)-4-tert-butyl-10-oxabicyclo[5.2.1]decan-4-ol

(1R,7S)-4-tert-butyl-10-oxabicyclo[5.2.1]decan-4-ol (PubChem CID 66553029) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is (1R,7S)-4-tert-butyl-10-oxabicyclo[5.2.1]decan-4-ol.

Molecular Properties

Compound Name(1R,7S)-4-tert-butyl-10-oxabicyclo[5.2.1]decan-4-ol
PubChem CID66553029
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name(1R,7S)-4-tert-butyl-10-oxabicyclo[5.2.1]decan-4-ol
SMILESCC(C)(C)C1(O)CC[C@H]2CC[C@@H](CC1)O2
InChIInChI=1S/C13H24O2/c1-12(2,3)13(14)8-6-10-4-5-11(15-10)7-9-13/h10-11,14H,4-9H2,1-3H3/t10-,11+,13?
InChIKeyKGBDBMQVSKEPIP-QYJAPNMZSA-N
XLogP2.89
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,7S)-4-tert-butyl-10-oxabicyclo[5.2.1]decan-4-ol?
The IUPAC name of (1R,7S)-4-tert-butyl-10-oxabicyclo[5.2.1]decan-4-ol (CID 66553029) is (1R,7S)-4-tert-butyl-10-oxabicyclo[5.2.1]decan-4-ol.
What is the SMILES notation for (1R,7S)-4-tert-butyl-10-oxabicyclo[5.2.1]decan-4-ol?
The canonical SMILES for (1R,7S)-4-tert-butyl-10-oxabicyclo[5.2.1]decan-4-ol is CC(C)(C)C1(O)CC[C@H]2CC[C@@H](CC1)O2.
What is the InChIKey of (1R,7S)-4-tert-butyl-10-oxabicyclo[5.2.1]decan-4-ol?
The InChIKey is KGBDBMQVSKEPIP-QYJAPNMZSA-N. The full InChI is InChI=1S/C13H24O2/c1-12(2,3)13(14)8-6-10-4-5-11(15-10)7-9-13/h10-11,14H,4-9H2,1-3H3/t10-,11+,13?.
What are the key properties of (1R,7S)-4-tert-butyl-10-oxabicyclo[5.2.1]decan-4-ol?
(1R,7S)-4-tert-butyl-10-oxabicyclo[5.2.1]decan-4-ol has a molecular weight of 212.33 g/mol, XLogP of 2.89, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,7S)-4-tert-butyl-10-oxabicyclo[5.2.1]decan-4-ol is sourced from PubChem (CID 66553029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).