[(1S,2S,9S)-10,10-dimethyl-11-oxatricyclo[7.2.1.01,5]dodecan-2-yl]methanol

C14H24O2 — CID 91753767

IUPAC[(1S,2S,9S)-10,10-dimethyl-11-oxatricyclo[7.2.1.01,5]dodecan-2-yl]methanol
SMILESCC1(C)O[C@@]23C[C@@H]1CCCC2CC[C@H]3CO
InChIInChI=1S/C14H24O2/c1-13(2)11-5-3-4-10-6-7-12(9-15)14(10,8-11)16-13/h10-12,15H,3-9H2,1-2H3/t10?,11-,12-,14-/m0/s1
InChIKeyYNRKDVOAXYELOW-WBGPXRNDSA-N
MW224.34 g/mol
LogP2.74
Rot. Bonds1

About [(1S,2S,9S)-10,10-dimethyl-11-oxatricyclo[7.2.1.01,5]dodecan-2-yl]methanol

[(1S,2S,9S)-10,10-dimethyl-11-oxatricyclo[7.2.1.01,5]dodecan-2-yl]methanol (PubChem CID 91753767) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is [(1S,2S,9S)-10,10-dimethyl-11-oxatricyclo[7.2.1.01,5]dodecan-2-yl]methanol.

Molecular Properties

Compound Name[(1S,2S,9S)-10,10-dimethyl-11-oxatricyclo[7.2.1.01,5]dodecan-2-yl]methanol
PubChem CID91753767
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name[(1S,2S,9S)-10,10-dimethyl-11-oxatricyclo[7.2.1.01,5]dodecan-2-yl]methanol
SMILESCC1(C)O[C@@]23C[C@@H]1CCCC2CC[C@H]3CO
InChIInChI=1S/C14H24O2/c1-13(2)11-5-3-4-10-6-7-12(9-15)14(10,8-11)16-13/h10-12,15H,3-9H2,1-2H3/t10?,11-,12-,14-/m0/s1
InChIKeyYNRKDVOAXYELOW-WBGPXRNDSA-N
XLogP2.74
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(1S,2S,9S)-10,10-dimethyl-11-oxatricyclo[7.2.1.01,5]dodecan-2-yl]methanol?
The IUPAC name of [(1S,2S,9S)-10,10-dimethyl-11-oxatricyclo[7.2.1.01,5]dodecan-2-yl]methanol (CID 91753767) is [(1S,2S,9S)-10,10-dimethyl-11-oxatricyclo[7.2.1.01,5]dodecan-2-yl]methanol.
What is the SMILES notation for [(1S,2S,9S)-10,10-dimethyl-11-oxatricyclo[7.2.1.01,5]dodecan-2-yl]methanol?
The canonical SMILES for [(1S,2S,9S)-10,10-dimethyl-11-oxatricyclo[7.2.1.01,5]dodecan-2-yl]methanol is CC1(C)O[C@@]23C[C@@H]1CCCC2CC[C@H]3CO.
What is the InChIKey of [(1S,2S,9S)-10,10-dimethyl-11-oxatricyclo[7.2.1.01,5]dodecan-2-yl]methanol?
The InChIKey is YNRKDVOAXYELOW-WBGPXRNDSA-N. The full InChI is InChI=1S/C14H24O2/c1-13(2)11-5-3-4-10-6-7-12(9-15)14(10,8-11)16-13/h10-12,15H,3-9H2,1-2H3/t10?,11-,12-,14-/m0/s1.
What are the key properties of [(1S,2S,9S)-10,10-dimethyl-11-oxatricyclo[7.2.1.01,5]dodecan-2-yl]methanol?
[(1S,2S,9S)-10,10-dimethyl-11-oxatricyclo[7.2.1.01,5]dodecan-2-yl]methanol has a molecular weight of 224.34 g/mol, XLogP of 2.74, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S,9S)-10,10-dimethyl-11-oxatricyclo[7.2.1.01,5]dodecan-2-yl]methanol is sourced from PubChem (CID 91753767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).