(1S,4S,5R,8R,11R)-4,7,7,11-tetramethyl-6-oxatricyclo[6.3.0.01,5]undecan-5-ol

C14H24O2 — CID 163004116

IUPAC(1S,4S,5R,8R,11R)-4,7,7,11-tetramethyl-6-oxatricyclo[6.3.0.01,5]undecan-5-ol
SMILESC[C@@H]1CC[C@H]2C(C)(C)O[C@]3(O)[C@@H](C)CC[C@]123
InChIInChI=1S/C14H24O2/c1-9-5-6-11-12(3,4)16-14(15)10(2)7-8-13(9,11)14/h9-11,15H,5-8H2,1-4H3/t9-,10+,11+,13+,14-/m1/s1
InChIKeyGRRIYLFQXHZWQR-VSEIDBEKSA-N
MW224.34 g/mol
LogP2.95
Rot. Bonds

About (1S,4S,5R,8R,11R)-4,7,7,11-tetramethyl-6-oxatricyclo[6.3.0.01,5]undecan-5-ol

(1S,4S,5R,8R,11R)-4,7,7,11-tetramethyl-6-oxatricyclo[6.3.0.01,5]undecan-5-ol (PubChem CID 163004116) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is (1S,4S,5R,8R,11R)-4,7,7,11-tetramethyl-6-oxatricyclo[6.3.0.01,5]undecan-5-ol.

Molecular Properties

Compound Name(1S,4S,5R,8R,11R)-4,7,7,11-tetramethyl-6-oxatricyclo[6.3.0.01,5]undecan-5-ol
PubChem CID163004116
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name(1S,4S,5R,8R,11R)-4,7,7,11-tetramethyl-6-oxatricyclo[6.3.0.01,5]undecan-5-ol
SMILESC[C@@H]1CC[C@H]2C(C)(C)O[C@]3(O)[C@@H](C)CC[C@]123
InChIInChI=1S/C14H24O2/c1-9-5-6-11-12(3,4)16-14(15)10(2)7-8-13(9,11)14/h9-11,15H,5-8H2,1-4H3/t9-,10+,11+,13+,14-/m1/s1
InChIKeyGRRIYLFQXHZWQR-VSEIDBEKSA-N
XLogP2.95
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,4S,5R,8R,11R)-4,7,7,11-tetramethyl-6-oxatricyclo[6.3.0.01,5]undecan-5-ol?
The IUPAC name of (1S,4S,5R,8R,11R)-4,7,7,11-tetramethyl-6-oxatricyclo[6.3.0.01,5]undecan-5-ol (CID 163004116) is (1S,4S,5R,8R,11R)-4,7,7,11-tetramethyl-6-oxatricyclo[6.3.0.01,5]undecan-5-ol.
What is the SMILES notation for (1S,4S,5R,8R,11R)-4,7,7,11-tetramethyl-6-oxatricyclo[6.3.0.01,5]undecan-5-ol?
The canonical SMILES for (1S,4S,5R,8R,11R)-4,7,7,11-tetramethyl-6-oxatricyclo[6.3.0.01,5]undecan-5-ol is C[C@@H]1CC[C@H]2C(C)(C)O[C@]3(O)[C@@H](C)CC[C@]123.
What is the InChIKey of (1S,4S,5R,8R,11R)-4,7,7,11-tetramethyl-6-oxatricyclo[6.3.0.01,5]undecan-5-ol?
The InChIKey is GRRIYLFQXHZWQR-VSEIDBEKSA-N. The full InChI is InChI=1S/C14H24O2/c1-9-5-6-11-12(3,4)16-14(15)10(2)7-8-13(9,11)14/h9-11,15H,5-8H2,1-4H3/t9-,10+,11+,13+,14-/m1/s1.
What are the key properties of (1S,4S,5R,8R,11R)-4,7,7,11-tetramethyl-6-oxatricyclo[6.3.0.01,5]undecan-5-ol?
(1S,4S,5R,8R,11R)-4,7,7,11-tetramethyl-6-oxatricyclo[6.3.0.01,5]undecan-5-ol has a molecular weight of 224.34 g/mol, XLogP of 2.95, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4S,5R,8R,11R)-4,7,7,11-tetramethyl-6-oxatricyclo[6.3.0.01,5]undecan-5-ol is sourced from PubChem (CID 163004116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).