(8aS)-8a-ethyl-2,7,8-trimethyl-2,3,4,8-tetrahydrochromene

C14H22O — CID 129151706

IUPAC(8aS)-8a-ethyl-2,7,8-trimethyl-2,3,4,8-tetrahydrochromene
SMILESCC[C@@]12OC(C)CCC1=CC=C(C)C2C
InChIInChI=1S/C14H22O/c1-5-14-12(4)10(2)6-8-13(14)9-7-11(3)15-14/h6,8,11-12H,5,7,9H2,1-4H3/t11?,12?,14-/m0/s1
InChIKeyIMCKXKHHJSWHLM-YIZWMMSDSA-N
MW206.33 g/mol
LogP3.86
Rot. Bonds1

About (8aS)-8a-ethyl-2,7,8-trimethyl-2,3,4,8-tetrahydrochromene

(8aS)-8a-ethyl-2,7,8-trimethyl-2,3,4,8-tetrahydrochromene (PubChem CID 129151706) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is (8aS)-8a-ethyl-2,7,8-trimethyl-2,3,4,8-tetrahydrochromene.

Molecular Properties

Compound Name(8aS)-8a-ethyl-2,7,8-trimethyl-2,3,4,8-tetrahydrochromene
PubChem CID129151706
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Name(8aS)-8a-ethyl-2,7,8-trimethyl-2,3,4,8-tetrahydrochromene
SMILESCC[C@@]12OC(C)CCC1=CC=C(C)C2C
InChIInChI=1S/C14H22O/c1-5-14-12(4)10(2)6-8-13(14)9-7-11(3)15-14/h6,8,11-12H,5,7,9H2,1-4H3/t11?,12?,14-/m0/s1
InChIKeyIMCKXKHHJSWHLM-YIZWMMSDSA-N
XLogP3.86
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Cabreuva oxide D
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Cabreuva oxide C
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(3S,4aS,8aS)-1,1,3,6-Tetramethyl-3-vinyl-3,4,4a,7,8,8a-hexahydro-1H-isochromene
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Dihydroedulan I
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Dihydroedulan II
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(1S,3S,4R)-1,3-dimethyl-3-(4-methylpent-3-enyl)-2-oxabicyclo[2.2.2]oct-5-ene
CID 15043226
(2S,4S,4aS,8aR)-4,7-dimethyl-2-(2-methylprop-1-enyl)-3,4,4a,5,6,8a-hexahydro-2H-chromene
CID 100982633
(2R,4R,4aS,7aR,10aS,10bR)-4,10-dimethyl-7-methylidene-2-(2-methylprop-1-enyl)-2,3,4,4a,5,6,7a,8,10a,10b-decahydroazuleno[4,5-b]pyran
CID 163035558
(2alpha,4aalpha8aalpha)-3,4,4a,5,6,8a-Hexahydro-2,5,5,8a-tetramethyl-2H-1-benzopyran
CID 522517

Frequently Asked Questions

What is the IUPAC name of (8aS)-8a-ethyl-2,7,8-trimethyl-2,3,4,8-tetrahydrochromene?
The IUPAC name of (8aS)-8a-ethyl-2,7,8-trimethyl-2,3,4,8-tetrahydrochromene (CID 129151706) is (8aS)-8a-ethyl-2,7,8-trimethyl-2,3,4,8-tetrahydrochromene.
What is the SMILES notation for (8aS)-8a-ethyl-2,7,8-trimethyl-2,3,4,8-tetrahydrochromene?
The canonical SMILES for (8aS)-8a-ethyl-2,7,8-trimethyl-2,3,4,8-tetrahydrochromene is CC[C@@]12OC(C)CCC1=CC=C(C)C2C.
What is the InChIKey of (8aS)-8a-ethyl-2,7,8-trimethyl-2,3,4,8-tetrahydrochromene?
The InChIKey is IMCKXKHHJSWHLM-YIZWMMSDSA-N. The full InChI is InChI=1S/C14H22O/c1-5-14-12(4)10(2)6-8-13(14)9-7-11(3)15-14/h6,8,11-12H,5,7,9H2,1-4H3/t11?,12?,14-/m0/s1.
What are the key properties of (8aS)-8a-ethyl-2,7,8-trimethyl-2,3,4,8-tetrahydrochromene?
(8aS)-8a-ethyl-2,7,8-trimethyl-2,3,4,8-tetrahydrochromene has a molecular weight of 206.33 g/mol, XLogP of 3.86, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (8aS)-8a-ethyl-2,7,8-trimethyl-2,3,4,8-tetrahydrochromene is sourced from PubChem (CID 129151706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).