5'-hydroxy-2',5',7'-trimethyl-1'-prop-1-enylspiro[cyclopropane-1,6'-indene]-4'-one

C17H20O2 — CID 59656577

IUPAC5'-hydroxy-2',5',7'-trimethyl-1'-prop-1-enylspiro[cyclopropane-1,6'-indene]-4'-one
SMILESCC=CC1=C(C)C=C2C(=O)C(C)(O)C3(CC3)C(C)=C21
InChIInChI=1S/C17H20O2/c1-5-6-12-10(2)9-13-14(12)11(3)17(7-8-17)16(4,19)15(13)18/h5-6,9,19H,7-8H2,1-4H3
InChIKeyACCYFOZMUWVTBU-UHFFFAOYSA-N
MW256.34 g/mol
LogP3.25
Rot. Bonds1

About 5'-hydroxy-2',5',7'-trimethyl-1'-prop-1-enylspiro[cyclopropane-1,6'-indene]-4'-one

5'-hydroxy-2',5',7'-trimethyl-1'-prop-1-enylspiro[cyclopropane-1,6'-indene]-4'-one (PubChem CID 59656577) has the molecular formula C17H20O2 and a molecular weight of 256.34 g/mol. Its IUPAC name is 5'-hydroxy-2',5',7'-trimethyl-1'-prop-1-enylspiro[cyclopropane-1,6'-indene]-4'-one.

Molecular Properties

Compound Name5'-hydroxy-2',5',7'-trimethyl-1'-prop-1-enylspiro[cyclopropane-1,6'-indene]-4'-one
PubChem CID59656577
Molecular FormulaC17H20O2
Molecular Weight256.34 g/mol
Exact Mass256.15
IUPAC Name5'-hydroxy-2',5',7'-trimethyl-1'-prop-1-enylspiro[cyclopropane-1,6'-indene]-4'-one
SMILESCC=CC1=C(C)C=C2C(=O)C(C)(O)C3(CC3)C(C)=C21
InChIInChI=1S/C17H20O2/c1-5-6-12-10(2)9-13-14(12)11(3)17(7-8-17)16(4,19)15(13)18/h5-6,9,19H,7-8H2,1-4H3
InChIKeyACCYFOZMUWVTBU-UHFFFAOYSA-N
XLogP3.25
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5'-hydroxy-2',5',7'-trimethyl-1'-prop-1-enylspiro[cyclopropane-1,6'-indene]-4'-one?
The IUPAC name of 5'-hydroxy-2',5',7'-trimethyl-1'-prop-1-enylspiro[cyclopropane-1,6'-indene]-4'-one (CID 59656577) is 5'-hydroxy-2',5',7'-trimethyl-1'-prop-1-enylspiro[cyclopropane-1,6'-indene]-4'-one.
What is the SMILES notation for 5'-hydroxy-2',5',7'-trimethyl-1'-prop-1-enylspiro[cyclopropane-1,6'-indene]-4'-one?
The canonical SMILES for 5'-hydroxy-2',5',7'-trimethyl-1'-prop-1-enylspiro[cyclopropane-1,6'-indene]-4'-one is CC=CC1=C(C)C=C2C(=O)C(C)(O)C3(CC3)C(C)=C21.
What is the InChIKey of 5'-hydroxy-2',5',7'-trimethyl-1'-prop-1-enylspiro[cyclopropane-1,6'-indene]-4'-one?
The InChIKey is ACCYFOZMUWVTBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O2/c1-5-6-12-10(2)9-13-14(12)11(3)17(7-8-17)16(4,19)15(13)18/h5-6,9,19H,7-8H2,1-4H3.
What are the key properties of 5'-hydroxy-2',5',7'-trimethyl-1'-prop-1-enylspiro[cyclopropane-1,6'-indene]-4'-one?
5'-hydroxy-2',5',7'-trimethyl-1'-prop-1-enylspiro[cyclopropane-1,6'-indene]-4'-one has a molecular weight of 256.34 g/mol, XLogP of 3.25, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5'-hydroxy-2',5',7'-trimethyl-1'-prop-1-enylspiro[cyclopropane-1,6'-indene]-4'-one is sourced from PubChem (CID 59656577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).