8-propan-2-yl-2,3,4a,5-tetrahydrochromen-4-one

C12H16O2 — CID 122448194

IUPAC8-propan-2-yl-2,3,4a,5-tetrahydrochromen-4-one
SMILESCC(C)C1=C2OCCC(=O)C2CC=C1
InChIInChI=1S/C12H16O2/c1-8(2)9-4-3-5-10-11(13)6-7-14-12(9)10/h3-4,8,10H,5-7H2,1-2H3
InChIKeyLWNKHVICYMAIFP-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.46
Rot. Bonds1

About 8-propan-2-yl-2,3,4a,5-tetrahydrochromen-4-one

8-propan-2-yl-2,3,4a,5-tetrahydrochromen-4-one (PubChem CID 122448194) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is 8-propan-2-yl-2,3,4a,5-tetrahydrochromen-4-one.

Molecular Properties

Compound Name8-propan-2-yl-2,3,4a,5-tetrahydrochromen-4-one
PubChem CID122448194
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name8-propan-2-yl-2,3,4a,5-tetrahydrochromen-4-one
SMILESCC(C)C1=C2OCCC(=O)C2CC=C1
InChIInChI=1S/C12H16O2/c1-8(2)9-4-3-5-10-11(13)6-7-14-12(9)10/h3-4,8,10H,5-7H2,1-2H3
InChIKeyLWNKHVICYMAIFP-UHFFFAOYSA-N
XLogP2.46
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-propan-2-yl-2,3,4a,5-tetrahydrochromen-4-one?
The IUPAC name of 8-propan-2-yl-2,3,4a,5-tetrahydrochromen-4-one (CID 122448194) is 8-propan-2-yl-2,3,4a,5-tetrahydrochromen-4-one.
What is the SMILES notation for 8-propan-2-yl-2,3,4a,5-tetrahydrochromen-4-one?
The canonical SMILES for 8-propan-2-yl-2,3,4a,5-tetrahydrochromen-4-one is CC(C)C1=C2OCCC(=O)C2CC=C1.
What is the InChIKey of 8-propan-2-yl-2,3,4a,5-tetrahydrochromen-4-one?
The InChIKey is LWNKHVICYMAIFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2/c1-8(2)9-4-3-5-10-11(13)6-7-14-12(9)10/h3-4,8,10H,5-7H2,1-2H3.
What are the key properties of 8-propan-2-yl-2,3,4a,5-tetrahydrochromen-4-one?
8-propan-2-yl-2,3,4a,5-tetrahydrochromen-4-one has a molecular weight of 192.26 g/mol, XLogP of 2.46, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-propan-2-yl-2,3,4a,5-tetrahydrochromen-4-one is sourced from PubChem (CID 122448194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).