(1S,10S,12R,13S)-13-methyl-14-oxatricyclo[8.3.1.02,7]tetradeca-2,4,6-trien-12-ol

C14H18O2 — CID 102162860

IUPAC(1S,10S,12R,13S)-13-methyl-14-oxatricyclo[8.3.1.02,7]tetradeca-2,4,6-trien-12-ol
SMILESC[C@H]1[C@H](O)C[C@@H]2CCc3ccccc3[C@H]1O2
InChIInChI=1S/C14H18O2/c1-9-13(15)8-11-7-6-10-4-2-3-5-12(10)14(9)16-11/h2-5,9,11,13-15H,6-8H2,1H3/t9-,11-,13+,14-/m0/s1
InChIKeyJWSNEEAAOQRSDO-VMXABPDPSA-N
MW218.30 g/mol
LogP2.46
Rot. Bonds

About (1S,10S,12R,13S)-13-methyl-14-oxatricyclo[8.3.1.02,7]tetradeca-2,4,6-trien-12-ol

(1S,10S,12R,13S)-13-methyl-14-oxatricyclo[8.3.1.02,7]tetradeca-2,4,6-trien-12-ol (PubChem CID 102162860) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is (1S,10S,12R,13S)-13-methyl-14-oxatricyclo[8.3.1.02,7]tetradeca-2,4,6-trien-12-ol.

Molecular Properties

Compound Name(1S,10S,12R,13S)-13-methyl-14-oxatricyclo[8.3.1.02,7]tetradeca-2,4,6-trien-12-ol
PubChem CID102162860
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name(1S,10S,12R,13S)-13-methyl-14-oxatricyclo[8.3.1.02,7]tetradeca-2,4,6-trien-12-ol
SMILESC[C@H]1[C@H](O)C[C@@H]2CCc3ccccc3[C@H]1O2
InChIInChI=1S/C14H18O2/c1-9-13(15)8-11-7-6-10-4-2-3-5-12(10)14(9)16-11/h2-5,9,11,13-15H,6-8H2,1H3/t9-,11-,13+,14-/m0/s1
InChIKeyJWSNEEAAOQRSDO-VMXABPDPSA-N
XLogP2.46
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,10S,12R,13S)-13-methyl-14-oxatricyclo[8.3.1.02,7]tetradeca-2,4,6-trien-12-ol?
The IUPAC name of (1S,10S,12R,13S)-13-methyl-14-oxatricyclo[8.3.1.02,7]tetradeca-2,4,6-trien-12-ol (CID 102162860) is (1S,10S,12R,13S)-13-methyl-14-oxatricyclo[8.3.1.02,7]tetradeca-2,4,6-trien-12-ol.
What is the SMILES notation for (1S,10S,12R,13S)-13-methyl-14-oxatricyclo[8.3.1.02,7]tetradeca-2,4,6-trien-12-ol?
The canonical SMILES for (1S,10S,12R,13S)-13-methyl-14-oxatricyclo[8.3.1.02,7]tetradeca-2,4,6-trien-12-ol is C[C@H]1[C@H](O)C[C@@H]2CCc3ccccc3[C@H]1O2.
What is the InChIKey of (1S,10S,12R,13S)-13-methyl-14-oxatricyclo[8.3.1.02,7]tetradeca-2,4,6-trien-12-ol?
The InChIKey is JWSNEEAAOQRSDO-VMXABPDPSA-N. The full InChI is InChI=1S/C14H18O2/c1-9-13(15)8-11-7-6-10-4-2-3-5-12(10)14(9)16-11/h2-5,9,11,13-15H,6-8H2,1H3/t9-,11-,13+,14-/m0/s1.
What are the key properties of (1S,10S,12R,13S)-13-methyl-14-oxatricyclo[8.3.1.02,7]tetradeca-2,4,6-trien-12-ol?
(1S,10S,12R,13S)-13-methyl-14-oxatricyclo[8.3.1.02,7]tetradeca-2,4,6-trien-12-ol has a molecular weight of 218.30 g/mol, XLogP of 2.46, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,10S,12R,13S)-13-methyl-14-oxatricyclo[8.3.1.02,7]tetradeca-2,4,6-trien-12-ol is sourced from PubChem (CID 102162860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).