(10S)-1,5,9-trimethyl-8-oxatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-10-ol

C15H20O2 — CID 138975500

IUPAC(10S)-1,5,9-trimethyl-8-oxatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-10-ol
SMILESCc1ccc2c(c1)OC1(C)CC2(C)CC[C@@H]1O
InChIInChI=1S/C15H20O2/c1-10-4-5-11-12(8-10)17-15(3)9-14(11,2)7-6-13(15)16/h4-5,8,13,16H,6-7,9H2,1-3H3/t13-,14?,15?/m0/s1
InChIKeyPSMSHZCZVGLVMB-NFOMZHRRSA-N
MW232.32 g/mol
LogP2.95
Rot. Bonds

About (10S)-1,5,9-trimethyl-8-oxatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-10-ol

(10S)-1,5,9-trimethyl-8-oxatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-10-ol (PubChem CID 138975500) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is (10S)-1,5,9-trimethyl-8-oxatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-10-ol.

Molecular Properties

Compound Name(10S)-1,5,9-trimethyl-8-oxatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-10-ol
PubChem CID138975500
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name(10S)-1,5,9-trimethyl-8-oxatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-10-ol
SMILESCc1ccc2c(c1)OC1(C)CC2(C)CC[C@@H]1O
InChIInChI=1S/C15H20O2/c1-10-4-5-11-12(8-10)17-15(3)9-14(11,2)7-6-13(15)16/h4-5,8,13,16H,6-7,9H2,1-3H3/t13-,14?,15?/m0/s1
InChIKeyPSMSHZCZVGLVMB-NFOMZHRRSA-N
XLogP2.95
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (10S)-1,5,9-trimethyl-8-oxatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-10-ol with MolForge

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Related Compounds

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CID 10331512
(1'R,3S)-3',3',5-trimethylspiro[2H-1-benzofuran-3,2'-cyclopentane]-1'-ol
CID 135009450
4,7-dimethylspiro[3H-chromene-2,1'-cyclopentane]-4-amine
CID 82194464
3-hydroperoxy-3,3a,6,8b-tetramethyl-1,2-dihydrocyclopenta[b][1]benzofuran
CID 163109459
(2S,4aS,10aR)-1,1,4a,7-tetramethyl-2,3,4,9,10,10a-hexahydrophenanthren-2-ol
CID 135067648
4-methyl-2-(2,4,4,6-tetramethyl-3H-chromen-2-yl)phenol
CID 10891786
(2R,3S,4S,5R)-2-(hydroxymethyl)-6-[5-methyl-2-(2,4,4,7-tetramethyl-3H-chromen-2-yl)phenoxy]oxane-3,4,5-triol
CID 139969553
(2aR,7bS)-2a,5,7b-trimethyl-1H-cyclobuta[b][1]benzofuran-2-one
CID 11019939
4,4-difluoro-7-methyl-2,3-dihydrochromene
CID 84718817
1,1,7-trimethyl-3,4-dihydro-2H-naphthalen-2-ol
CID 115010757
(1R,9R,12S)-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-12,2'-oxirane]
CID 11117452

Frequently Asked Questions

What is the IUPAC name of (10S)-1,5,9-trimethyl-8-oxatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-10-ol?
The IUPAC name of (10S)-1,5,9-trimethyl-8-oxatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-10-ol (CID 138975500) is (10S)-1,5,9-trimethyl-8-oxatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-10-ol.
What is the SMILES notation for (10S)-1,5,9-trimethyl-8-oxatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-10-ol?
The canonical SMILES for (10S)-1,5,9-trimethyl-8-oxatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-10-ol is Cc1ccc2c(c1)OC1(C)CC2(C)CC[C@@H]1O.
What is the InChIKey of (10S)-1,5,9-trimethyl-8-oxatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-10-ol?
The InChIKey is PSMSHZCZVGLVMB-NFOMZHRRSA-N. The full InChI is InChI=1S/C15H20O2/c1-10-4-5-11-12(8-10)17-15(3)9-14(11,2)7-6-13(15)16/h4-5,8,13,16H,6-7,9H2,1-3H3/t13-,14?,15?/m0/s1.
What are the key properties of (10S)-1,5,9-trimethyl-8-oxatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-10-ol?
(10S)-1,5,9-trimethyl-8-oxatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-10-ol has a molecular weight of 232.32 g/mol, XLogP of 2.95, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (10S)-1,5,9-trimethyl-8-oxatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-10-ol is sourced from PubChem (CID 138975500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).