(1R,4S)-5,10-dimethyl-7,13-dioxatricyclo[10.2.1.04,8]pentadeca-8,10,12(15)-triene

C15H20O2 — CID 173094034

IUPAC(1R,4S)-5,10-dimethyl-7,13-dioxatricyclo[10.2.1.04,8]pentadeca-8,10,12(15)-triene
SMILESCC1=CC2=C[C@@H](CC[C@@H]3C(=C1)OCC3C)CO2
InChIInChI=1S/C15H20O2/c1-10-5-13-7-12(9-16-13)3-4-14-11(2)8-17-15(14)6-10/h5-7,11-12,14H,3-4,8-9H2,1-2H3/t11?,12-,14+/m1/s1
InChIKeyYCMKRMZJIXETLU-AOUZGSJDSA-N
MW232.32 g/mol
LogP3.42
Rot. Bonds

About (1R,4S)-5,10-dimethyl-7,13-dioxatricyclo[10.2.1.04,8]pentadeca-8,10,12(15)-triene

(1R,4S)-5,10-dimethyl-7,13-dioxatricyclo[10.2.1.04,8]pentadeca-8,10,12(15)-triene (PubChem CID 173094034) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is (1R,4S)-5,10-dimethyl-7,13-dioxatricyclo[10.2.1.04,8]pentadeca-8,10,12(15)-triene.

Molecular Properties

Compound Name(1R,4S)-5,10-dimethyl-7,13-dioxatricyclo[10.2.1.04,8]pentadeca-8,10,12(15)-triene
PubChem CID173094034
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name(1R,4S)-5,10-dimethyl-7,13-dioxatricyclo[10.2.1.04,8]pentadeca-8,10,12(15)-triene
SMILESCC1=CC2=C[C@@H](CC[C@@H]3C(=C1)OCC3C)CO2
InChIInChI=1S/C15H20O2/c1-10-5-13-7-12(9-16-13)3-4-14-11(2)8-17-15(14)6-10/h5-7,11-12,14H,3-4,8-9H2,1-2H3/t11?,12-,14+/m1/s1
InChIKeyYCMKRMZJIXETLU-AOUZGSJDSA-N
XLogP3.42
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (1R,4S)-5,10-dimethyl-7,13-dioxatricyclo[10.2.1.04,8]pentadeca-8,10,12(15)-triene with MolForge

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Related Compounds

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CID 89190772
2,4,5-Trimethyl-2,3,4,5-tetrahydro-1-benzofuran
CID 123244802
4-Oxatetracyclo[10.2.1.02,11.03,8]pentadeca-1(14),2(11),3(8)-triene
CID 140299007
6-[2,6-dimethyl-1-(2-methylbutan-2-yloxy)octan-4-yl]-3,5-dihydro-2H-cyclohepta[b]furan;methane
CID 142121590
6-butyl-3,4,5,6-tetrahydro-2H-cyclohepta[b]furan;ethane
CID 142173383
(3R,7aS)-2-methyl-3-[(Z)-2-methyl-3-methylidene-5-[4-methyl-2-(2-methylbutyl)-2,3-dihydrofuran-5-yl]hex-4-enyl]-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran
CID 146532254
1,2-Dimethoxy-4-(3-methylbutan-2-yl)cyclohexa-1,3-diene
CID 154974151
2-methyl-5-[5-[(3R)-3-methyl-2,3-dihydrofuran-4-yl]hexan-2-yl]-2,5-dihydrofuran
CID 174171775
2-Methyl-3-[4-(3-methyl-2,3-dihydrofuran-2-yl)pentan-2-yl]-2,5-dihydrofuran
CID 174171776
3-(methoxymethylidene)-5,6,7,7a-tetrahydro-1H-2-benzofuran
CID 176181241
(2R,4S)-2-butoxy-10-methoxytricyclo[5.4.1.04,12]dodeca-1(12),7,9-triene
CID 53310167

Frequently Asked Questions

What is the IUPAC name of (1R,4S)-5,10-dimethyl-7,13-dioxatricyclo[10.2.1.04,8]pentadeca-8,10,12(15)-triene?
The IUPAC name of (1R,4S)-5,10-dimethyl-7,13-dioxatricyclo[10.2.1.04,8]pentadeca-8,10,12(15)-triene (CID 173094034) is (1R,4S)-5,10-dimethyl-7,13-dioxatricyclo[10.2.1.04,8]pentadeca-8,10,12(15)-triene.
What is the SMILES notation for (1R,4S)-5,10-dimethyl-7,13-dioxatricyclo[10.2.1.04,8]pentadeca-8,10,12(15)-triene?
The canonical SMILES for (1R,4S)-5,10-dimethyl-7,13-dioxatricyclo[10.2.1.04,8]pentadeca-8,10,12(15)-triene is CC1=CC2=C[C@@H](CC[C@@H]3C(=C1)OCC3C)CO2.
What is the InChIKey of (1R,4S)-5,10-dimethyl-7,13-dioxatricyclo[10.2.1.04,8]pentadeca-8,10,12(15)-triene?
The InChIKey is YCMKRMZJIXETLU-AOUZGSJDSA-N. The full InChI is InChI=1S/C15H20O2/c1-10-5-13-7-12(9-16-13)3-4-14-11(2)8-17-15(14)6-10/h5-7,11-12,14H,3-4,8-9H2,1-2H3/t11?,12-,14+/m1/s1.
What are the key properties of (1R,4S)-5,10-dimethyl-7,13-dioxatricyclo[10.2.1.04,8]pentadeca-8,10,12(15)-triene?
(1R,4S)-5,10-dimethyl-7,13-dioxatricyclo[10.2.1.04,8]pentadeca-8,10,12(15)-triene has a molecular weight of 232.32 g/mol, XLogP of 3.42, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4S)-5,10-dimethyl-7,13-dioxatricyclo[10.2.1.04,8]pentadeca-8,10,12(15)-triene is sourced from PubChem (CID 173094034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).