(4aS,8aR)-2-methoxy-3,3,5,5,8a-pentamethyl-2,4,4a,6,7,8-hexahydrochromene

C15H28O2 — CID 14944769

IUPAC(4aS,8aR)-2-methoxy-3,3,5,5,8a-pentamethyl-2,4,4a,6,7,8-hexahydrochromene
SMILESCOC1O[C@]2(C)CCCC(C)(C)[C@@H]2CC1(C)C
InChIInChI=1S/C15H28O2/c1-13(2)8-7-9-15(5)11(13)10-14(3,4)12(16-6)17-15/h11-12H,7-10H2,1-6H3/t11-,12?,15+/m0/s1
InChIKeyCBRPHOQCPUADMB-CPNOVKFWSA-N
MW240.39 g/mol
LogP3.99
Rot. Bonds1

About (4aS,8aR)-2-methoxy-3,3,5,5,8a-pentamethyl-2,4,4a,6,7,8-hexahydrochromene

(4aS,8aR)-2-methoxy-3,3,5,5,8a-pentamethyl-2,4,4a,6,7,8-hexahydrochromene (PubChem CID 14944769) has the molecular formula C15H28O2 and a molecular weight of 240.39 g/mol. Its IUPAC name is (4aS,8aR)-2-methoxy-3,3,5,5,8a-pentamethyl-2,4,4a,6,7,8-hexahydrochromene.

Molecular Properties

Compound Name(4aS,8aR)-2-methoxy-3,3,5,5,8a-pentamethyl-2,4,4a,6,7,8-hexahydrochromene
PubChem CID14944769
Molecular FormulaC15H28O2
Molecular Weight240.39 g/mol
Exact Mass240.21
IUPAC Name(4aS,8aR)-2-methoxy-3,3,5,5,8a-pentamethyl-2,4,4a,6,7,8-hexahydrochromene
SMILESCOC1O[C@]2(C)CCCC(C)(C)[C@@H]2CC1(C)C
InChIInChI=1S/C15H28O2/c1-13(2)8-7-9-15(5)11(13)10-14(3,4)12(16-6)17-15/h11-12H,7-10H2,1-6H3/t11-,12?,15+/m0/s1
InChIKeyCBRPHOQCPUADMB-CPNOVKFWSA-N
XLogP3.99
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5,5,8a-trimethyl-3,4,4a,6,7,8-hexahydro-2H-chromene
CID 19873304
(1S,3aS,7aR)-1-methoxy-4,4,7a-trimethyl-2,3,3a,5,6,7-hexahydro-1H-indene
CID 90388768
(4aR,6aS,10aS,10bR)-3,4a,7,7,10a-pentamethyl-1,2,3,5,6,6a,8,9,10,10b-decahydrobenzo[f]chromene
CID 15600013
3,4a,7,7,10a-pentamethyl-1,2,3,5,6,6a,8,9,10,10b-decahydrobenzo[f]chromene
CID 619276
2,3,5,5,8a-pentamethyl-4a,6,7,8-tetrahydro-4H-chromene
CID 573164
(3aR,9aS,9bS)-3a,6,6,9a-tetramethyl-2,4,5,5a,7,8,9,9b-octahydro-1H-benzo[e][1]benzofuran
CID 11107366
(3aS,5aS,9aR,9bS)-3a,6,6,9a-tetramethyl-2,4,5,5a,7,8,9,9b-octahydro-1H-benzo[e][1]benzofuran
CID 12838595
5,5,8a-trimethyl-3,4,4a,6,7,8-hexahydrochromen-2-one
CID 12742959
(1R,5S)-3-methoxy-1,5-dimethyl-9-oxabicyclo[3.3.1]nonane
CID 102177583
(1R,2S,6R,7S)-1,4,4,7-tetramethyl-3,5,11-trioxatricyclo[5.3.1.02,6]undecane
CID 71019394
(4,4,7a-trimethyl-2,3,3a,5,6,7-hexahydro-1H-inden-2-yl)methanol
CID 78109943
1-[(9aS,9bR)-3a,6,6,9a-tetramethyl-2,4,5,5a,7,8,9,9b-octahydro-1H-benzo[e][1]benzofuran-2-yl]ethanone
CID 59886602

Frequently Asked Questions

What is the IUPAC name of (4aS,8aR)-2-methoxy-3,3,5,5,8a-pentamethyl-2,4,4a,6,7,8-hexahydrochromene?
The IUPAC name of (4aS,8aR)-2-methoxy-3,3,5,5,8a-pentamethyl-2,4,4a,6,7,8-hexahydrochromene (CID 14944769) is (4aS,8aR)-2-methoxy-3,3,5,5,8a-pentamethyl-2,4,4a,6,7,8-hexahydrochromene.
What is the SMILES notation for (4aS,8aR)-2-methoxy-3,3,5,5,8a-pentamethyl-2,4,4a,6,7,8-hexahydrochromene?
The canonical SMILES for (4aS,8aR)-2-methoxy-3,3,5,5,8a-pentamethyl-2,4,4a,6,7,8-hexahydrochromene is COC1O[C@]2(C)CCCC(C)(C)[C@@H]2CC1(C)C.
What is the InChIKey of (4aS,8aR)-2-methoxy-3,3,5,5,8a-pentamethyl-2,4,4a,6,7,8-hexahydrochromene?
The InChIKey is CBRPHOQCPUADMB-CPNOVKFWSA-N. The full InChI is InChI=1S/C15H28O2/c1-13(2)8-7-9-15(5)11(13)10-14(3,4)12(16-6)17-15/h11-12H,7-10H2,1-6H3/t11-,12?,15+/m0/s1.
What are the key properties of (4aS,8aR)-2-methoxy-3,3,5,5,8a-pentamethyl-2,4,4a,6,7,8-hexahydrochromene?
(4aS,8aR)-2-methoxy-3,3,5,5,8a-pentamethyl-2,4,4a,6,7,8-hexahydrochromene has a molecular weight of 240.39 g/mol, XLogP of 3.99, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS,8aR)-2-methoxy-3,3,5,5,8a-pentamethyl-2,4,4a,6,7,8-hexahydrochromene is sourced from PubChem (CID 14944769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).