(2R,4aS,8aS)-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-2H-chromene

C13H24O — CID 7076463

IUPAC(2R,4aS,8aS)-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-2H-chromene
SMILESC[C@@H]1CC[C@H]2C(C)(C)CCC[C@]2(C)O1
InChIInChI=1S/C13H24O/c1-10-6-7-11-12(2,3)8-5-9-13(11,4)14-10/h10-11H,5-9H2,1-4H3/t10-,11+,13+/m1/s1
InChIKeyDMDUUBPBJUFSCD-MDZLAQPJSA-N
MW196.33 g/mol
LogP3.77
Rot. Bonds

About (2R,4aS,8aS)-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-2H-chromene

(2R,4aS,8aS)-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-2H-chromene (PubChem CID 7076463) has the molecular formula C13H24O and a molecular weight of 196.33 g/mol. Its IUPAC name is (2R,4aS,8aS)-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-2H-chromene.

Molecular Properties

Compound Name(2R,4aS,8aS)-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-2H-chromene
PubChem CID7076463
Molecular FormulaC13H24O
Molecular Weight196.33 g/mol
Exact Mass196.18
IUPAC Name(2R,4aS,8aS)-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-2H-chromene
SMILESC[C@@H]1CC[C@H]2C(C)(C)CCC[C@]2(C)O1
InChIInChI=1S/C13H24O/c1-10-6-7-11-12(2,3)8-5-9-13(11,4)14-10/h10-11H,5-9H2,1-4H3/t10-,11+,13+/m1/s1
InChIKeyDMDUUBPBJUFSCD-MDZLAQPJSA-N
XLogP3.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.33
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (2R,4aS,8aS)-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-2H-chromene with MolForge

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Related Compounds

1H-2-Benzopyran, 3,4,4a,5,8,8a(or 3,4,4a,7,8,8a)-hexahydro-3,3,6,7-tetramethyl-
CID 3085817
(1aR,4aS,8S,8aS)-4a,8-dimethyl-1a,2,3,4,5,6,7,8-octahydronaphtho[1,8a-b]oxirene
CID 10954134
4-Ethyl-trans-3-oxabicyclo[4,4,0]decane
CID 587014
2,5,5,8a-Tetramethyloctahydro-2H-chromene
CID 602183
Dysifragin
CID 21775654
9,9-Dimethyl-2-oxa-bicyclo[3.3.1]nonan
CID 129629614
3,3,6,7-Tetramethyl-2,4,4a,5,6,7,8,8a-octahydrochromene
CID 73556749
8-fluoro-2,6,7-trimethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-chromene
CID 123463547
2,2-Dimethyl-3,4,4a,5,6,7,8,8a-octahydrochromene
CID 269454
Spiro(tetrahydrofuryl)2.1'(decalin), 5',5',8'a-trimethyl-
CID 566475
Benzo[f]chromene, perhydro-7,7,10a-trimethyl
CID 616844
(2S,4aS,8aS)-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-2H-chromene
CID 7076464

Frequently Asked Questions

What is the IUPAC name of (2R,4aS,8aS)-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-2H-chromene?
The IUPAC name of (2R,4aS,8aS)-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-2H-chromene (CID 7076463) is (2R,4aS,8aS)-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-2H-chromene.
What is the SMILES notation for (2R,4aS,8aS)-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-2H-chromene?
The canonical SMILES for (2R,4aS,8aS)-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-2H-chromene is C[C@@H]1CC[C@H]2C(C)(C)CCC[C@]2(C)O1.
What is the InChIKey of (2R,4aS,8aS)-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-2H-chromene?
The InChIKey is DMDUUBPBJUFSCD-MDZLAQPJSA-N. The full InChI is InChI=1S/C13H24O/c1-10-6-7-11-12(2,3)8-5-9-13(11,4)14-10/h10-11H,5-9H2,1-4H3/t10-,11+,13+/m1/s1.
What are the key properties of (2R,4aS,8aS)-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-2H-chromene?
(2R,4aS,8aS)-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-2H-chromene has a molecular weight of 196.33 g/mol, XLogP of 3.77, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4aS,8aS)-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-2H-chromene is sourced from PubChem (CID 7076463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).