8a-ethyl-2,7,8-trimethyl-2,3,4,8-tetrahydrochromene

C14H22O — CID 59271474

IUPAC8a-ethyl-2,7,8-trimethyl-2,3,4,8-tetrahydrochromene
SMILESCCC12OC(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
InChIKeyIMCKXKHHJSWHLM-UHFFFAOYSA-N
MW206.33 g/mol
LogP3.86
Rot. Bonds1

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

8a-ethyl-2,7,8-trimethyl-2,3,4,8-tetrahydrochromene (PubChem CID 59271474) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is 8a-ethyl-2,7,8-trimethyl-2,3,4,8-tetrahydrochromene.

Molecular Properties

Compound Name8a-ethyl-2,7,8-trimethyl-2,3,4,8-tetrahydrochromene
PubChem CID59271474
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Name8a-ethyl-2,7,8-trimethyl-2,3,4,8-tetrahydrochromene
SMILESCCC12OC(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
InChIKeyIMCKXKHHJSWHLM-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of 8a-ethyl-2,7,8-trimethyl-2,3,4,8-tetrahydrochromene?
The IUPAC name of 8a-ethyl-2,7,8-trimethyl-2,3,4,8-tetrahydrochromene (CID 59271474) is 8a-ethyl-2,7,8-trimethyl-2,3,4,8-tetrahydrochromene.
What is the SMILES notation for 8a-ethyl-2,7,8-trimethyl-2,3,4,8-tetrahydrochromene?
The canonical SMILES for 8a-ethyl-2,7,8-trimethyl-2,3,4,8-tetrahydrochromene is CCC12OC(C)CCC1=CC=C(C)C2C.
What is the InChIKey of 8a-ethyl-2,7,8-trimethyl-2,3,4,8-tetrahydrochromene?
The InChIKey is IMCKXKHHJSWHLM-UHFFFAOYSA-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.
What are the key properties of 8a-ethyl-2,7,8-trimethyl-2,3,4,8-tetrahydrochromene?
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 8a-ethyl-2,7,8-trimethyl-2,3,4,8-tetrahydrochromene is sourced from PubChem (CID 59271474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).