(1R,5S,7S)-5-methyl-11-oxatricyclo[5.3.1.01,5]undecan-7-ol

C11H18O2 — CID 11953557

IUPAC(1R,5S,7S)-5-methyl-11-oxatricyclo[5.3.1.01,5]undecan-7-ol
SMILESC[C@@]12CCC[C@@]13CCC[C@@](O)(C2)O3
InChIInChI=1S/C11H18O2/c1-9-4-2-5-10(9)6-3-7-11(12,8-9)13-10/h12H,2-8H2,1H3/t9-,10+,11-/m0/s1
InChIKeyVAVUZFPNOUWNGT-AXFHLTTASA-N
MW182.26 g/mol
LogP2.21
Rot. Bonds

About (1R,5S,7S)-5-methyl-11-oxatricyclo[5.3.1.01,5]undecan-7-ol

(1R,5S,7S)-5-methyl-11-oxatricyclo[5.3.1.01,5]undecan-7-ol (PubChem CID 11953557) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is (1R,5S,7S)-5-methyl-11-oxatricyclo[5.3.1.01,5]undecan-7-ol.

Molecular Properties

Compound Name(1R,5S,7S)-5-methyl-11-oxatricyclo[5.3.1.01,5]undecan-7-ol
PubChem CID11953557
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name(1R,5S,7S)-5-methyl-11-oxatricyclo[5.3.1.01,5]undecan-7-ol
SMILESC[C@@]12CCC[C@@]13CCC[C@@](O)(C2)O3
InChIInChI=1S/C11H18O2/c1-9-4-2-5-10(9)6-3-7-11(12,8-9)13-10/h12H,2-8H2,1H3/t9-,10+,11-/m0/s1
InChIKeyVAVUZFPNOUWNGT-AXFHLTTASA-N
XLogP2.21
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,5S,7S)-5-methyl-11-oxatricyclo[5.3.1.01,5]undecan-7-ol?
The IUPAC name of (1R,5S,7S)-5-methyl-11-oxatricyclo[5.3.1.01,5]undecan-7-ol (CID 11953557) is (1R,5S,7S)-5-methyl-11-oxatricyclo[5.3.1.01,5]undecan-7-ol.
What is the SMILES notation for (1R,5S,7S)-5-methyl-11-oxatricyclo[5.3.1.01,5]undecan-7-ol?
The canonical SMILES for (1R,5S,7S)-5-methyl-11-oxatricyclo[5.3.1.01,5]undecan-7-ol is C[C@@]12CCC[C@@]13CCC[C@@](O)(C2)O3.
What is the InChIKey of (1R,5S,7S)-5-methyl-11-oxatricyclo[5.3.1.01,5]undecan-7-ol?
The InChIKey is VAVUZFPNOUWNGT-AXFHLTTASA-N. The full InChI is InChI=1S/C11H18O2/c1-9-4-2-5-10(9)6-3-7-11(12,8-9)13-10/h12H,2-8H2,1H3/t9-,10+,11-/m0/s1.
What are the key properties of (1R,5S,7S)-5-methyl-11-oxatricyclo[5.3.1.01,5]undecan-7-ol?
(1R,5S,7S)-5-methyl-11-oxatricyclo[5.3.1.01,5]undecan-7-ol has a molecular weight of 182.26 g/mol, XLogP of 2.21, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S,7S)-5-methyl-11-oxatricyclo[5.3.1.01,5]undecan-7-ol is sourced from PubChem (CID 11953557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).