(2R)-2-[2-[(1S,2S,6R,8aR)-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]ethyl]-2,3-dihydropyran-6-one

C19H26O2 — CID 56957484

IUPAC(2R)-2-[2-[(1S,2S,6R,8aR)-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]ethyl]-2,3-dihydropyran-6-one
SMILESC[C@H]1C=C2C=C[C@H](C)[C@H](CC[C@@H]3CC=CC(=O)O3)[C@H]2CC1
InChIInChI=1S/C19H26O2/c1-13-6-10-18-15(12-13)8-7-14(2)17(18)11-9-16-4-3-5-19(20)21-16/h3,5,7-8,12-14,16-18H,4,6,9-11H2,1-2H3/t13-,14+,16+,17+,18+/m1/s1
InChIKeyXSCVDBFFRYSNDD-SRIISGBFSA-N
MW286.42 g/mol
LogP4.43
Rot. Bonds3

About (2R)-2-[2-[(1S,2S,6R,8aR)-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]ethyl]-2,3-dihydropyran-6-one

(2R)-2-[2-[(1S,2S,6R,8aR)-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]ethyl]-2,3-dihydropyran-6-one (PubChem CID 56957484) has the molecular formula C19H26O2 and a molecular weight of 286.42 g/mol. Its IUPAC name is (2R)-2-[2-[(1S,2S,6R,8aR)-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]ethyl]-2,3-dihydropyran-6-one.

Molecular Properties

Compound Name(2R)-2-[2-[(1S,2S,6R,8aR)-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]ethyl]-2,3-dihydropyran-6-one
PubChem CID56957484
Molecular FormulaC19H26O2
Molecular Weight286.42 g/mol
Exact Mass286.19
IUPAC Name(2R)-2-[2-[(1S,2S,6R,8aR)-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]ethyl]-2,3-dihydropyran-6-one
SMILESC[C@H]1C=C2C=C[C@H](C)[C@H](CC[C@@H]3CC=CC(=O)O3)[C@H]2CC1
InChIInChI=1S/C19H26O2/c1-13-6-10-18-15(12-13)8-7-14(2)17(18)11-9-16-4-3-5-19(20)21-16/h3,5,7-8,12-14,16-18H,4,6,9-11H2,1-2H3/t13-,14+,16+,17+,18+/m1/s1
InChIKeyXSCVDBFFRYSNDD-SRIISGBFSA-N
XLogP4.43
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2R)-2-[2-[(1S,2S,6R,8aR)-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]ethyl]-2,3-dihydropyran-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[2-[(1S,2S,6R,8aR)-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]ethyl]-2,3-dihydropyran-6-one?
The IUPAC name of (2R)-2-[2-[(1S,2S,6R,8aR)-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]ethyl]-2,3-dihydropyran-6-one (CID 56957484) is (2R)-2-[2-[(1S,2S,6R,8aR)-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]ethyl]-2,3-dihydropyran-6-one.
What is the SMILES notation for (2R)-2-[2-[(1S,2S,6R,8aR)-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]ethyl]-2,3-dihydropyran-6-one?
The canonical SMILES for (2R)-2-[2-[(1S,2S,6R,8aR)-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]ethyl]-2,3-dihydropyran-6-one is C[C@H]1C=C2C=C[C@H](C)[C@H](CC[C@@H]3CC=CC(=O)O3)[C@H]2CC1.
What is the InChIKey of (2R)-2-[2-[(1S,2S,6R,8aR)-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]ethyl]-2,3-dihydropyran-6-one?
The InChIKey is XSCVDBFFRYSNDD-SRIISGBFSA-N. The full InChI is InChI=1S/C19H26O2/c1-13-6-10-18-15(12-13)8-7-14(2)17(18)11-9-16-4-3-5-19(20)21-16/h3,5,7-8,12-14,16-18H,4,6,9-11H2,1-2H3/t13-,14+,16+,17+,18+/m1/s1.
What are the key properties of (2R)-2-[2-[(1S,2S,6R,8aR)-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]ethyl]-2,3-dihydropyran-6-one?
(2R)-2-[2-[(1S,2S,6R,8aR)-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]ethyl]-2,3-dihydropyran-6-one has a molecular weight of 286.42 g/mol, XLogP of 4.43, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[2-[(1S,2S,6R,8aR)-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]ethyl]-2,3-dihydropyran-6-one is sourced from PubChem (CID 56957484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).