2-ethoxy-3a-methyl-5,6-dihydro-4H-inden-1-one

C12H16O2 — CID 134933024

IUPAC2-ethoxy-3a-methyl-5,6-dihydro-4H-inden-1-one
SMILESCCOC1=CC2(C)CCCC=C2C1=O
InChIInChI=1S/C12H16O2/c1-3-14-10-8-12(2)7-5-4-6-9(12)11(10)13/h6,8H,3-5,7H2,1-2H3
InChIKeyKAXGNPQKDQSCDS-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.61
Rot. Bonds2

About 2-ethoxy-3a-methyl-5,6-dihydro-4H-inden-1-one

2-ethoxy-3a-methyl-5,6-dihydro-4H-inden-1-one (PubChem CID 134933024) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is 2-ethoxy-3a-methyl-5,6-dihydro-4H-inden-1-one.

Molecular Properties

Compound Name2-ethoxy-3a-methyl-5,6-dihydro-4H-inden-1-one
PubChem CID134933024
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name2-ethoxy-3a-methyl-5,6-dihydro-4H-inden-1-one
SMILESCCOC1=CC2(C)CCCC=C2C1=O
InChIInChI=1S/C12H16O2/c1-3-14-10-8-12(2)7-5-4-6-9(12)11(10)13/h6,8H,3-5,7H2,1-2H3
InChIKeyKAXGNPQKDQSCDS-UHFFFAOYSA-N
XLogP2.61
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 122183878
(4bR,5aR,10aR)-3-ethoxy-5a,6,10,10a-tetramethyl-5,8,9,11-tetrahydro-4bH-benzo[h]fluorene-1,4-dione
CID 172453479
5-methyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one
CID 11412478
(6S)-6-hexyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one
CID 25223926
(6S)-6-methyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one
CID 93508358
(6S)-6-ethyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one
CID 101274655
(6S)-6-nonyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one
CID 102284592
(6S)-6-propyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one
CID 135055622
6,6-Dimethyl-2,3,4,5,6,7-hexahydrobenzo[b]furan-3,4-dione
CID 905888
6-methyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one
CID 12141478
(Cyclohex-1-en-1-yl)(3,4-dihydro-2H-pyran-6-yl)methanone
CID 16115537
5-Methoxy-2-methyl-3-(9,11,13,15-tetramethylheptadecyl)cyclohexa-2,5-diene-1,4-dione
CID 71434663

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-3a-methyl-5,6-dihydro-4H-inden-1-one?
The IUPAC name of 2-ethoxy-3a-methyl-5,6-dihydro-4H-inden-1-one (CID 134933024) is 2-ethoxy-3a-methyl-5,6-dihydro-4H-inden-1-one.
What is the SMILES notation for 2-ethoxy-3a-methyl-5,6-dihydro-4H-inden-1-one?
The canonical SMILES for 2-ethoxy-3a-methyl-5,6-dihydro-4H-inden-1-one is CCOC1=CC2(C)CCCC=C2C1=O.
What is the InChIKey of 2-ethoxy-3a-methyl-5,6-dihydro-4H-inden-1-one?
The InChIKey is KAXGNPQKDQSCDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2/c1-3-14-10-8-12(2)7-5-4-6-9(12)11(10)13/h6,8H,3-5,7H2,1-2H3.
What are the key properties of 2-ethoxy-3a-methyl-5,6-dihydro-4H-inden-1-one?
2-ethoxy-3a-methyl-5,6-dihydro-4H-inden-1-one has a molecular weight of 192.26 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-3a-methyl-5,6-dihydro-4H-inden-1-one is sourced from PubChem (CID 134933024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).