7-propan-2-yl-2-propyl-2,6,7,8-tetrahydrochromen-5-one

C15H22O2 — CID 11053586

IUPAC7-propan-2-yl-2-propyl-2,6,7,8-tetrahydrochromen-5-one
SMILESCCCC1C=CC2=C(CC(C(C)C)CC2=O)O1
InChIInChI=1S/C15H22O2/c1-4-5-12-6-7-13-14(16)8-11(10(2)3)9-15(13)17-12/h6-7,10-12H,4-5,8-9H2,1-3H3
InChIKeyPJYQDSWBGXMXKS-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.63
Rot. Bonds3

About 7-propan-2-yl-2-propyl-2,6,7,8-tetrahydrochromen-5-one

7-propan-2-yl-2-propyl-2,6,7,8-tetrahydrochromen-5-one (PubChem CID 11053586) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 7-propan-2-yl-2-propyl-2,6,7,8-tetrahydrochromen-5-one.

Molecular Properties

Compound Name7-propan-2-yl-2-propyl-2,6,7,8-tetrahydrochromen-5-one
PubChem CID11053586
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name7-propan-2-yl-2-propyl-2,6,7,8-tetrahydrochromen-5-one
SMILESCCCC1C=CC2=C(CC(C(C)C)CC2=O)O1
InChIInChI=1S/C15H22O2/c1-4-5-12-6-7-13-14(16)8-11(10(2)3)9-15(13)17-12/h6-7,10-12H,4-5,8-9H2,1-3H3
InChIKeyPJYQDSWBGXMXKS-UHFFFAOYSA-N
XLogP3.63
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-propan-2-yl-2-propyl-2,6,7,8-tetrahydrochromen-5-one?
The IUPAC name of 7-propan-2-yl-2-propyl-2,6,7,8-tetrahydrochromen-5-one (CID 11053586) is 7-propan-2-yl-2-propyl-2,6,7,8-tetrahydrochromen-5-one.
What is the SMILES notation for 7-propan-2-yl-2-propyl-2,6,7,8-tetrahydrochromen-5-one?
The canonical SMILES for 7-propan-2-yl-2-propyl-2,6,7,8-tetrahydrochromen-5-one is CCCC1C=CC2=C(CC(C(C)C)CC2=O)O1.
What is the InChIKey of 7-propan-2-yl-2-propyl-2,6,7,8-tetrahydrochromen-5-one?
The InChIKey is PJYQDSWBGXMXKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-4-5-12-6-7-13-14(16)8-11(10(2)3)9-15(13)17-12/h6-7,10-12H,4-5,8-9H2,1-3H3.
What are the key properties of 7-propan-2-yl-2-propyl-2,6,7,8-tetrahydrochromen-5-one?
7-propan-2-yl-2-propyl-2,6,7,8-tetrahydrochromen-5-one has a molecular weight of 234.34 g/mol, XLogP of 3.63, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-propan-2-yl-2-propyl-2,6,7,8-tetrahydrochromen-5-one is sourced from PubChem (CID 11053586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).