(1S,2S,5S,6S,7R,8S)-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undecan-7-ol

C15H26O2 — CID 138983390

IUPAC(1S,2S,5S,6S,7R,8S)-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undecan-7-ol
SMILESCC(C)[C@]12CC[C@](C)(O1)[C@H]1CC[C@H](C)[C@@H]1[C@H]2O
InChIInChI=1S/C15H26O2/c1-9(2)15-8-7-14(4,17-15)11-6-5-10(3)12(11)13(15)16/h9-13,16H,5-8H2,1-4H3/t10-,11-,12-,13+,14-,15-/m0/s1
InChIKeyCXEULTSNAOITBW-SOAFEQHCSA-N
MW238.37 g/mol
LogP2.99
Rot. Bonds1

About (1S,2S,5S,6S,7R,8S)-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undecan-7-ol

(1S,2S,5S,6S,7R,8S)-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undecan-7-ol (PubChem CID 138983390) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is (1S,2S,5S,6S,7R,8S)-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undecan-7-ol.

Molecular Properties

Compound Name(1S,2S,5S,6S,7R,8S)-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undecan-7-ol
PubChem CID138983390
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name(1S,2S,5S,6S,7R,8S)-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undecan-7-ol
SMILESCC(C)[C@]12CC[C@](C)(O1)[C@H]1CC[C@H](C)[C@@H]1[C@H]2O
InChIInChI=1S/C15H26O2/c1-9(2)15-8-7-14(4,17-15)11-6-5-10(3)12(11)13(15)16/h9-13,16H,5-8H2,1-4H3/t10-,11-,12-,13+,14-,15-/m0/s1
InChIKeyCXEULTSNAOITBW-SOAFEQHCSA-N
XLogP2.99
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
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

Analyze (1S,2S,5S,6S,7R,8S)-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undecan-7-ol with MolForge

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Related Compounds

5,8-Dimethyl-2-propan-2-yl-11-oxatricyclo[6.2.1.01,5]undecan-7-ol
CID 345471
Daucol
CID 442363
beta-Kessyl alcohol
CID 131751163
2,8-Dimethyl-5-propan-2-yl-11-oxatricyclo[5.3.1.02,6]undecane-1,8-diol
CID 163007589
2-[(1R,2S,5S,6S,8S)-1,5-dimethyl-11-oxatricyclo[6.2.1.02,6]undecan-8-yl]propan-1-ol
CID 21581813
(1R,2R,3S,6R,7R,8S,10S)-3,7-dimethyl-10-propan-2-yl-11-oxatricyclo[5.3.1.02,6]undecane-3,8-diol
CID 101621382
Homalomenol D
CID 101712280
7alpha,10alpha-Epoxyguaiane-4alpha,11-diol
CID 102519761
rel-(1R,2S,5R,6R,7R,8R)-5-isopropyl-2,8-dimethyl-11-oxatricyclo[5.3.1.0(2,6)]undecane-1,8-diol
CID 121596197
Orientalol E
CID 637282
(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
(1S,2S,5R,6S,7S,8S)-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undecan-7-ol
CID 11402170

Frequently Asked Questions

What is the IUPAC name of (1S,2S,5S,6S,7R,8S)-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undecan-7-ol?
The IUPAC name of (1S,2S,5S,6S,7R,8S)-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undecan-7-ol (CID 138983390) is (1S,2S,5S,6S,7R,8S)-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undecan-7-ol.
What is the SMILES notation for (1S,2S,5S,6S,7R,8S)-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undecan-7-ol?
The canonical SMILES for (1S,2S,5S,6S,7R,8S)-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undecan-7-ol is CC(C)[C@]12CC[C@](C)(O1)[C@H]1CC[C@H](C)[C@@H]1[C@H]2O.
What is the InChIKey of (1S,2S,5S,6S,7R,8S)-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undecan-7-ol?
The InChIKey is CXEULTSNAOITBW-SOAFEQHCSA-N. The full InChI is InChI=1S/C15H26O2/c1-9(2)15-8-7-14(4,17-15)11-6-5-10(3)12(11)13(15)16/h9-13,16H,5-8H2,1-4H3/t10-,11-,12-,13+,14-,15-/m0/s1.
What are the key properties of (1S,2S,5S,6S,7R,8S)-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undecan-7-ol?
(1S,2S,5S,6S,7R,8S)-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undecan-7-ol has a molecular weight of 238.37 g/mol, XLogP of 2.99, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,5S,6S,7R,8S)-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undecan-7-ol is sourced from PubChem (CID 138983390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).