(14S)-2,11,11-trimethyl-7-propan-2-yl-10-oxatricyclo[7.5.1.05,15]pentadeca-1,3,5,7,9(15)-pentaene-8,14-diol

C20H26O3 — CID 11461177

IUPAC(14S)-2,11,11-trimethyl-7-propan-2-yl-10-oxatricyclo[7.5.1.05,15]pentadeca-1,3,5,7,9(15)-pentaene-8,14-diol
SMILESCc1ccc2cc(C(C)C)c(O)c3c2c1[C@@H](O)CCC(C)(C)O3
InChIInChI=1S/C20H26O3/c1-11(2)14-10-13-7-6-12(3)16-15(21)8-9-20(4,5)23-19(17(13)16)18(14)22/h6-7,10-11,15,21-22H,8-9H2,1-5H3/t15-/m0/s1
InChIKeyDYYRDAOHGZJZRW-HNNXBMFYSA-N
MW314.43 g/mol
LogP4.96
Rot. Bonds1

About (14S)-2,11,11-trimethyl-7-propan-2-yl-10-oxatricyclo[7.5.1.05,15]pentadeca-1,3,5,7,9(15)-pentaene-8,14-diol

(14S)-2,11,11-trimethyl-7-propan-2-yl-10-oxatricyclo[7.5.1.05,15]pentadeca-1,3,5,7,9(15)-pentaene-8,14-diol (PubChem CID 11461177) has the molecular formula C20H26O3 and a molecular weight of 314.43 g/mol. Its IUPAC name is (14S)-2,11,11-trimethyl-7-propan-2-yl-10-oxatricyclo[7.5.1.05,15]pentadeca-1,3,5,7,9(15)-pentaene-8,14-diol.

Molecular Properties

Compound Name(14S)-2,11,11-trimethyl-7-propan-2-yl-10-oxatricyclo[7.5.1.05,15]pentadeca-1,3,5,7,9(15)-pentaene-8,14-diol
PubChem CID11461177
Molecular FormulaC20H26O3
Molecular Weight314.43 g/mol
Exact Mass314.19
IUPAC Name(14S)-2,11,11-trimethyl-7-propan-2-yl-10-oxatricyclo[7.5.1.05,15]pentadeca-1,3,5,7,9(15)-pentaene-8,14-diol
SMILESCc1ccc2cc(C(C)C)c(O)c3c2c1[C@@H](O)CCC(C)(C)O3
InChIInChI=1S/C20H26O3/c1-11(2)14-10-13-7-6-12(3)16-15(21)8-9-20(4,5)23-19(17(13)16)18(14)22/h6-7,10-11,15,21-22H,8-9H2,1-5H3/t15-/m0/s1
InChIKeyDYYRDAOHGZJZRW-HNNXBMFYSA-N
XLogP4.96
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (14S)-2,11,11-trimethyl-7-propan-2-yl-10-oxatricyclo[7.5.1.05,15]pentadeca-1,3,5,7,9(15)-pentaene-8,14-diol with MolForge

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Related Compounds

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CID 102004771
8,8-dimethyl-2-propan-2-yl-6,7-dihydro-5H-phenanthrene-3,4-diol
CID 10613076
4,9-dimethyl-1,3-di(propan-2-yl)-2,3-dihydro-1H-phenalene
CID 147875383
8,8-dimethyl-2-propan-2-yl-7H-phenanthrene-3,4-diol
CID 10612906
N-ethyl-2,2,8-trimethyl-5-propan-2-yl-3,4-dihydrochromen-4-amine
CID 64696229
2,2-dimethyl-6-phenyl-8-propan-2-yl-3,4-dihydrochromene
CID 45255973
(3R)-2-[bis(2,5-dimethylphenyl)methyl]-2,4,7-trimethyl-1,3-dihydroindene-1,3-diol
CID 138980680
2-[(R)-[(2R)-5,5-dimethyloxolan-2-yl]-(1-methylindol-3-yl)methyl]-4-methylphenol
CID 46850504
2-methyl-9-propan-2-yl-1,2-dihydrobenzo[e][1]benzofuran-7-ol
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(1R,2S)-2,5-dimethyl-8-propan-2-yl-3,4-dihydro-1H-naphthalene-1,2-diol
CID 10681213
5-fluoro-8-methyl-3,4-dihydro-2H-chromen-4-ol
CID 102990727
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Frequently Asked Questions

What is the IUPAC name of (14S)-2,11,11-trimethyl-7-propan-2-yl-10-oxatricyclo[7.5.1.05,15]pentadeca-1,3,5,7,9(15)-pentaene-8,14-diol?
The IUPAC name of (14S)-2,11,11-trimethyl-7-propan-2-yl-10-oxatricyclo[7.5.1.05,15]pentadeca-1,3,5,7,9(15)-pentaene-8,14-diol (CID 11461177) is (14S)-2,11,11-trimethyl-7-propan-2-yl-10-oxatricyclo[7.5.1.05,15]pentadeca-1,3,5,7,9(15)-pentaene-8,14-diol.
What is the SMILES notation for (14S)-2,11,11-trimethyl-7-propan-2-yl-10-oxatricyclo[7.5.1.05,15]pentadeca-1,3,5,7,9(15)-pentaene-8,14-diol?
The canonical SMILES for (14S)-2,11,11-trimethyl-7-propan-2-yl-10-oxatricyclo[7.5.1.05,15]pentadeca-1,3,5,7,9(15)-pentaene-8,14-diol is Cc1ccc2cc(C(C)C)c(O)c3c2c1[C@@H](O)CCC(C)(C)O3.
What is the InChIKey of (14S)-2,11,11-trimethyl-7-propan-2-yl-10-oxatricyclo[7.5.1.05,15]pentadeca-1,3,5,7,9(15)-pentaene-8,14-diol?
The InChIKey is DYYRDAOHGZJZRW-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H26O3/c1-11(2)14-10-13-7-6-12(3)16-15(21)8-9-20(4,5)23-19(17(13)16)18(14)22/h6-7,10-11,15,21-22H,8-9H2,1-5H3/t15-/m0/s1.
What are the key properties of (14S)-2,11,11-trimethyl-7-propan-2-yl-10-oxatricyclo[7.5.1.05,15]pentadeca-1,3,5,7,9(15)-pentaene-8,14-diol?
(14S)-2,11,11-trimethyl-7-propan-2-yl-10-oxatricyclo[7.5.1.05,15]pentadeca-1,3,5,7,9(15)-pentaene-8,14-diol has a molecular weight of 314.43 g/mol, XLogP of 4.96, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (14S)-2,11,11-trimethyl-7-propan-2-yl-10-oxatricyclo[7.5.1.05,15]pentadeca-1,3,5,7,9(15)-pentaene-8,14-diol is sourced from PubChem (CID 11461177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).