2-ethyl-4-propyl-2,3,4,6,7,8-hexahydrochromen-5-one

C14H22O2 — CID 170742908

IUPAC2-ethyl-4-propyl-2,3,4,6,7,8-hexahydrochromen-5-one
SMILESCCCC1CC(CC)OC2=C1C(=O)CCC2
InChIInChI=1S/C14H22O2/c1-3-6-10-9-11(4-2)16-13-8-5-7-12(15)14(10)13/h10-11H,3-9H2,1-2H3
InChIKeyFFSKJBSBWFITGW-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.61
Rot. Bonds3

About 2-ethyl-4-propyl-2,3,4,6,7,8-hexahydrochromen-5-one

2-ethyl-4-propyl-2,3,4,6,7,8-hexahydrochromen-5-one (PubChem CID 170742908) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 2-ethyl-4-propyl-2,3,4,6,7,8-hexahydrochromen-5-one.

Molecular Properties

Compound Name2-ethyl-4-propyl-2,3,4,6,7,8-hexahydrochromen-5-one
PubChem CID170742908
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name2-ethyl-4-propyl-2,3,4,6,7,8-hexahydrochromen-5-one
SMILESCCCC1CC(CC)OC2=C1C(=O)CCC2
InChIInChI=1S/C14H22O2/c1-3-6-10-9-11(4-2)16-13-8-5-7-12(15)14(10)13/h10-11H,3-9H2,1-2H3
InChIKeyFFSKJBSBWFITGW-UHFFFAOYSA-N
XLogP3.61
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4S)-4-ethyl-2-methyl-2,3,4,6,7,8-hexahydrochromen-5-one
CID 170742866
(2S,4R)-2-ethoxy-4-methyl-2,3,4,6,7,8-hexahydrochromen-5-one
CID 129386911
(2R,4R)-2-ethoxy-4-methyl-2,3,4,6,7,8-hexahydrochromen-5-one
CID 129386913
(2R,4S)-2-ethyl-4-methyl-3,4,5,6,7,8-hexahydro-2H-chromene
CID 176894920
2-butoxy-4-propan-2-yl-2,3,4,6,7,8-hexahydrochromen-5-one
CID 90112481
trans-(2S,6S)-2,6-dipropylcyclohexan-1-one
CID 12712312
9-propan-2-yl-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione
CID 10682779
2-(bromomethyl)-3,5,6,7-tetrahydro-2H-1-benzofuran-4-one
CID 11413589
(4R)-3-amino-4-propyl-4,6,7,8-tetrahydroindeno[2,1-d][1,2]oxazol-5-one
CID 7378968
2-(2-oxopropyl)-3,5,6,7-tetrahydro-2H-1-benzofuran-4-one
CID 11458221
3-ethyl-5-(2-methoxyethyl)oxolan-2-one
CID 91406082
(2S)-2-(hydroxymethyl)-2,3,4,6,7,8-hexahydrochromen-5-one
CID 11458059

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-propyl-2,3,4,6,7,8-hexahydrochromen-5-one?
The IUPAC name of 2-ethyl-4-propyl-2,3,4,6,7,8-hexahydrochromen-5-one (CID 170742908) is 2-ethyl-4-propyl-2,3,4,6,7,8-hexahydrochromen-5-one.
What is the SMILES notation for 2-ethyl-4-propyl-2,3,4,6,7,8-hexahydrochromen-5-one?
The canonical SMILES for 2-ethyl-4-propyl-2,3,4,6,7,8-hexahydrochromen-5-one is CCCC1CC(CC)OC2=C1C(=O)CCC2.
What is the InChIKey of 2-ethyl-4-propyl-2,3,4,6,7,8-hexahydrochromen-5-one?
The InChIKey is FFSKJBSBWFITGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c1-3-6-10-9-11(4-2)16-13-8-5-7-12(15)14(10)13/h10-11H,3-9H2,1-2H3.
What are the key properties of 2-ethyl-4-propyl-2,3,4,6,7,8-hexahydrochromen-5-one?
2-ethyl-4-propyl-2,3,4,6,7,8-hexahydrochromen-5-one has a molecular weight of 222.33 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-propyl-2,3,4,6,7,8-hexahydrochromen-5-one is sourced from PubChem (CID 170742908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).