(3R,4S,7S)-7-methoxy-2,2,4,9-tetramethyl-6-oxatricyclo[6.3.1.04,12]dodeca-1(12),8,10-trien-3-ol

C16H22O3 — CID 11459695

IUPAC(3R,4S,7S)-7-methoxy-2,2,4,9-tetramethyl-6-oxatricyclo[6.3.1.04,12]dodeca-1(12),8,10-trien-3-ol
SMILESCO[C@H]1OC[C@]2(C)c3c(ccc(C)c31)C(C)(C)[C@H]2O
InChIInChI=1S/C16H22O3/c1-9-6-7-10-12-11(9)13(18-5)19-8-16(12,4)14(17)15(10,2)3/h6-7,13-14,17H,8H2,1-5H3/t13-,14+,16+/m0/s1
InChIKeyAVNDXVWMCIPVIY-SQWLQELKSA-N
MW262.35 g/mol
LogP2.58
Rot. Bonds1

About (3R,4S,7S)-7-methoxy-2,2,4,9-tetramethyl-6-oxatricyclo[6.3.1.04,12]dodeca-1(12),8,10-trien-3-ol

(3R,4S,7S)-7-methoxy-2,2,4,9-tetramethyl-6-oxatricyclo[6.3.1.04,12]dodeca-1(12),8,10-trien-3-ol (PubChem CID 11459695) has the molecular formula C16H22O3 and a molecular weight of 262.35 g/mol. Its IUPAC name is (3R,4S,7S)-7-methoxy-2,2,4,9-tetramethyl-6-oxatricyclo[6.3.1.04,12]dodeca-1(12),8,10-trien-3-ol.

Molecular Properties

Compound Name(3R,4S,7S)-7-methoxy-2,2,4,9-tetramethyl-6-oxatricyclo[6.3.1.04,12]dodeca-1(12),8,10-trien-3-ol
PubChem CID11459695
Molecular FormulaC16H22O3
Molecular Weight262.35 g/mol
Exact Mass262.16
IUPAC Name(3R,4S,7S)-7-methoxy-2,2,4,9-tetramethyl-6-oxatricyclo[6.3.1.04,12]dodeca-1(12),8,10-trien-3-ol
SMILESCO[C@H]1OC[C@]2(C)c3c(ccc(C)c31)C(C)(C)[C@H]2O
InChIInChI=1S/C16H22O3/c1-9-6-7-10-12-11(9)13(18-5)19-8-16(12,4)14(17)15(10,2)3/h6-7,13-14,17H,8H2,1-5H3/t13-,14+,16+/m0/s1
InChIKeyAVNDXVWMCIPVIY-SQWLQELKSA-N
XLogP2.58
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3R,4S,7S)-7-methoxy-2,2,4,9-tetramethyl-6-oxatricyclo[6.3.1.04,12]dodeca-1(12),8,10-trien-3-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3R,4S,7S)-7-methoxy-2,2,4,9-tetramethyl-6-oxatricyclo[6.3.1.04,12]dodeca-1(12),8,10-trien-3-ol?
The IUPAC name of (3R,4S,7S)-7-methoxy-2,2,4,9-tetramethyl-6-oxatricyclo[6.3.1.04,12]dodeca-1(12),8,10-trien-3-ol (CID 11459695) is (3R,4S,7S)-7-methoxy-2,2,4,9-tetramethyl-6-oxatricyclo[6.3.1.04,12]dodeca-1(12),8,10-trien-3-ol.
What is the SMILES notation for (3R,4S,7S)-7-methoxy-2,2,4,9-tetramethyl-6-oxatricyclo[6.3.1.04,12]dodeca-1(12),8,10-trien-3-ol?
The canonical SMILES for (3R,4S,7S)-7-methoxy-2,2,4,9-tetramethyl-6-oxatricyclo[6.3.1.04,12]dodeca-1(12),8,10-trien-3-ol is CO[C@H]1OC[C@]2(C)c3c(ccc(C)c31)C(C)(C)[C@H]2O.
What is the InChIKey of (3R,4S,7S)-7-methoxy-2,2,4,9-tetramethyl-6-oxatricyclo[6.3.1.04,12]dodeca-1(12),8,10-trien-3-ol?
The InChIKey is AVNDXVWMCIPVIY-SQWLQELKSA-N. The full InChI is InChI=1S/C16H22O3/c1-9-6-7-10-12-11(9)13(18-5)19-8-16(12,4)14(17)15(10,2)3/h6-7,13-14,17H,8H2,1-5H3/t13-,14+,16+/m0/s1.
What are the key properties of (3R,4S,7S)-7-methoxy-2,2,4,9-tetramethyl-6-oxatricyclo[6.3.1.04,12]dodeca-1(12),8,10-trien-3-ol?
(3R,4S,7S)-7-methoxy-2,2,4,9-tetramethyl-6-oxatricyclo[6.3.1.04,12]dodeca-1(12),8,10-trien-3-ol has a molecular weight of 262.35 g/mol, XLogP of 2.58, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,7S)-7-methoxy-2,2,4,9-tetramethyl-6-oxatricyclo[6.3.1.04,12]dodeca-1(12),8,10-trien-3-ol is sourced from PubChem (CID 11459695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).