(2S)-2-[(1S,2S,5S,6S,8S)-1,5-dimethyl-11-oxatricyclo[6.2.1.02,6]undecan-8-yl]propan-1-ol

C15H26O2 — CID 44559650

IUPAC(2S)-2-[(1S,2S,5S,6S,8S)-1,5-dimethyl-11-oxatricyclo[6.2.1.02,6]undecan-8-yl]propan-1-ol
SMILESC[C@H]1CC[C@H]2[C@H]1C[C@]1([C@@H](C)CO)CC[C@]2(C)O1
InChIInChI=1S/C15H26O2/c1-10-4-5-13-12(10)8-15(11(2)9-16)7-6-14(13,3)17-15/h10-13,16H,4-9H2,1-3H3/t10-,11-,12-,13-,14-,15-/m0/s1
InChIKeyQDCOGXJHEDTDOW-LZXPERKUSA-N
MW238.37 g/mol
LogP2.99
Rot. Bonds2

About (2S)-2-[(1S,2S,5S,6S,8S)-1,5-dimethyl-11-oxatricyclo[6.2.1.02,6]undecan-8-yl]propan-1-ol

(2S)-2-[(1S,2S,5S,6S,8S)-1,5-dimethyl-11-oxatricyclo[6.2.1.02,6]undecan-8-yl]propan-1-ol (PubChem CID 44559650) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is (2S)-2-[(1S,2S,5S,6S,8S)-1,5-dimethyl-11-oxatricyclo[6.2.1.02,6]undecan-8-yl]propan-1-ol.

Molecular Properties

Compound Name(2S)-2-[(1S,2S,5S,6S,8S)-1,5-dimethyl-11-oxatricyclo[6.2.1.02,6]undecan-8-yl]propan-1-ol
PubChem CID44559650
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name(2S)-2-[(1S,2S,5S,6S,8S)-1,5-dimethyl-11-oxatricyclo[6.2.1.02,6]undecan-8-yl]propan-1-ol
SMILESC[C@H]1CC[C@H]2[C@H]1C[C@]1([C@@H](C)CO)CC[C@]2(C)O1
InChIInChI=1S/C15H26O2/c1-10-4-5-13-12(10)8-15(11(2)9-16)7-6-14(13,3)17-15/h10-13,16H,4-9H2,1-3H3/t10-,11-,12-,13-,14-,15-/m0/s1
InChIKeyQDCOGXJHEDTDOW-LZXPERKUSA-N
XLogP2.99
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(1S,2S,5S,6S,8S)-1,5-dimethyl-11-oxatricyclo[6.2.1.02,6]undecan-8-yl]propan-1-ol?
The IUPAC name of (2S)-2-[(1S,2S,5S,6S,8S)-1,5-dimethyl-11-oxatricyclo[6.2.1.02,6]undecan-8-yl]propan-1-ol (CID 44559650) is (2S)-2-[(1S,2S,5S,6S,8S)-1,5-dimethyl-11-oxatricyclo[6.2.1.02,6]undecan-8-yl]propan-1-ol.
What is the SMILES notation for (2S)-2-[(1S,2S,5S,6S,8S)-1,5-dimethyl-11-oxatricyclo[6.2.1.02,6]undecan-8-yl]propan-1-ol?
The canonical SMILES for (2S)-2-[(1S,2S,5S,6S,8S)-1,5-dimethyl-11-oxatricyclo[6.2.1.02,6]undecan-8-yl]propan-1-ol is C[C@H]1CC[C@H]2[C@H]1C[C@]1([C@@H](C)CO)CC[C@]2(C)O1.
What is the InChIKey of (2S)-2-[(1S,2S,5S,6S,8S)-1,5-dimethyl-11-oxatricyclo[6.2.1.02,6]undecan-8-yl]propan-1-ol?
The InChIKey is QDCOGXJHEDTDOW-LZXPERKUSA-N. The full InChI is InChI=1S/C15H26O2/c1-10-4-5-13-12(10)8-15(11(2)9-16)7-6-14(13,3)17-15/h10-13,16H,4-9H2,1-3H3/t10-,11-,12-,13-,14-,15-/m0/s1.
What are the key properties of (2S)-2-[(1S,2S,5S,6S,8S)-1,5-dimethyl-11-oxatricyclo[6.2.1.02,6]undecan-8-yl]propan-1-ol?
(2S)-2-[(1S,2S,5S,6S,8S)-1,5-dimethyl-11-oxatricyclo[6.2.1.02,6]undecan-8-yl]propan-1-ol has a molecular weight of 238.37 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(1S,2S,5S,6S,8S)-1,5-dimethyl-11-oxatricyclo[6.2.1.02,6]undecan-8-yl]propan-1-ol is sourced from PubChem (CID 44559650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).