(5R,7S)-3,3,11-trimethyl-2,6-dioxatricyclo[7.3.1.05,13]trideca-1(12),9(13),10-trien-7-ol

C14H18O3 — CID 902842

IUPAC(5R,7S)-3,3,11-trimethyl-2,6-dioxatricyclo[7.3.1.05,13]trideca-1(12),9(13),10-trien-7-ol
SMILESCc1cc2c3c(c1)OC(C)(C)C[C@H]3O[C@H](O)C2
InChIInChI=1S/C14H18O3/c1-8-4-9-6-12(15)16-11-7-14(2,3)17-10(5-8)13(9)11/h4-5,11-12,15H,6-7H2,1-3H3/t11-,12+/m1/s1
InChIKeyWJLUOWDYLPRKTC-NEPJUHHUSA-N
MW234.29 g/mol
LogP2.49
Rot. Bonds

About (5R,7S)-3,3,11-trimethyl-2,6-dioxatricyclo[7.3.1.05,13]trideca-1(12),9(13),10-trien-7-ol

(5R,7S)-3,3,11-trimethyl-2,6-dioxatricyclo[7.3.1.05,13]trideca-1(12),9(13),10-trien-7-ol (PubChem CID 902842) has the molecular formula C14H18O3 and a molecular weight of 234.29 g/mol. Its IUPAC name is (5R,7S)-3,3,11-trimethyl-2,6-dioxatricyclo[7.3.1.05,13]trideca-1(12),9(13),10-trien-7-ol.

Molecular Properties

Compound Name(5R,7S)-3,3,11-trimethyl-2,6-dioxatricyclo[7.3.1.05,13]trideca-1(12),9(13),10-trien-7-ol
PubChem CID902842
Molecular FormulaC14H18O3
Molecular Weight234.29 g/mol
Exact Mass234.13
IUPAC Name(5R,7S)-3,3,11-trimethyl-2,6-dioxatricyclo[7.3.1.05,13]trideca-1(12),9(13),10-trien-7-ol
SMILESCc1cc2c3c(c1)OC(C)(C)C[C@H]3O[C@H](O)C2
InChIInChI=1S/C14H18O3/c1-8-4-9-6-12(15)16-11-7-14(2,3)17-10(5-8)13(9)11/h4-5,11-12,15H,6-7H2,1-3H3/t11-,12+/m1/s1
InChIKeyWJLUOWDYLPRKTC-NEPJUHHUSA-N
XLogP2.49
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (5R,7S)-3,3,11-trimethyl-2,6-dioxatricyclo[7.3.1.05,13]trideca-1(12),9(13),10-trien-7-ol with MolForge

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Related Compounds

(4R)-6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-ol
CID 10888842
7-methoxy-2,2-dimethyl-3,4-dihydrochromene-4,5-diol
CID 13123193
(4S)-2,2,7-trimethyl-3,4-dihydrochromen-4-amine
CID 42220633
(4R)-2,2-dimethyl-3,4-dihydrochromene-4,6-diol
CID 162926407
2,2,7-trimethyl-3,4-dihydrochromen-4-amine;hydrochloride
CID 46736559
7-(hydroxymethyl)-2,2,4,5-tetramethyl-3,4-dihydrochromen-6-ol
CID 159272846
5,7-diethyl-2,2-dimethyl-3,4-dihydrochromene-4,6-diol
CID 11715775
2-(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)ethanol
CID 82080641
(1R,9S,12R)-5,9-dimethyl-12-propan-2-yl-8-oxatricyclo[7.3.1.02,7]trideca-2,4,6-trien-3-ol
CID 162788233
5,7-dimethylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-ol
CID 82045896
1-(4-hydroxy-2,2,5,7-tetramethyl-3,4-dihydrochromen-3-yl)piperidin-4-one
CID 82187352
tert-butyl N-[(6-bromo-2,2-dimethyl-3,4-dihydrochromen-4-yl)methyl]carbamate
CID 118996723

Frequently Asked Questions

What is the IUPAC name of (5R,7S)-3,3,11-trimethyl-2,6-dioxatricyclo[7.3.1.05,13]trideca-1(12),9(13),10-trien-7-ol?
The IUPAC name of (5R,7S)-3,3,11-trimethyl-2,6-dioxatricyclo[7.3.1.05,13]trideca-1(12),9(13),10-trien-7-ol (CID 902842) is (5R,7S)-3,3,11-trimethyl-2,6-dioxatricyclo[7.3.1.05,13]trideca-1(12),9(13),10-trien-7-ol.
What is the SMILES notation for (5R,7S)-3,3,11-trimethyl-2,6-dioxatricyclo[7.3.1.05,13]trideca-1(12),9(13),10-trien-7-ol?
The canonical SMILES for (5R,7S)-3,3,11-trimethyl-2,6-dioxatricyclo[7.3.1.05,13]trideca-1(12),9(13),10-trien-7-ol is Cc1cc2c3c(c1)OC(C)(C)C[C@H]3O[C@H](O)C2.
What is the InChIKey of (5R,7S)-3,3,11-trimethyl-2,6-dioxatricyclo[7.3.1.05,13]trideca-1(12),9(13),10-trien-7-ol?
The InChIKey is WJLUOWDYLPRKTC-NEPJUHHUSA-N. The full InChI is InChI=1S/C14H18O3/c1-8-4-9-6-12(15)16-11-7-14(2,3)17-10(5-8)13(9)11/h4-5,11-12,15H,6-7H2,1-3H3/t11-,12+/m1/s1.
What are the key properties of (5R,7S)-3,3,11-trimethyl-2,6-dioxatricyclo[7.3.1.05,13]trideca-1(12),9(13),10-trien-7-ol?
(5R,7S)-3,3,11-trimethyl-2,6-dioxatricyclo[7.3.1.05,13]trideca-1(12),9(13),10-trien-7-ol has a molecular weight of 234.29 g/mol, XLogP of 2.49, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,7S)-3,3,11-trimethyl-2,6-dioxatricyclo[7.3.1.05,13]trideca-1(12),9(13),10-trien-7-ol is sourced from PubChem (CID 902842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).