5-hydroxy-2,2,4a-trimethyl-2a,3,4,5,6,7-hexahydro-1H-cyclobuta[i]inden-8-one

C14H22O2 — CID 4579738

IUPAC5-hydroxy-2,2,4a-trimethyl-2a,3,4,5,6,7-hexahydro-1H-cyclobuta[i]inden-8-one
SMILESCC1(C)CC23C(=O)CCC(O)C2(C)CCC13
InChIInChI=1S/C14H22O2/c1-12(2)8-14-9(12)6-7-13(14,3)10(15)4-5-11(14)16/h9-10,15H,4-8H2,1-3H3
InChIKeyUHRWOVVMQAASAO-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.54
Rot. Bonds

About 5-hydroxy-2,2,4a-trimethyl-2a,3,4,5,6,7-hexahydro-1H-cyclobuta[i]inden-8-one

5-hydroxy-2,2,4a-trimethyl-2a,3,4,5,6,7-hexahydro-1H-cyclobuta[i]inden-8-one (PubChem CID 4579738) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 5-hydroxy-2,2,4a-trimethyl-2a,3,4,5,6,7-hexahydro-1H-cyclobuta[i]inden-8-one.

Molecular Properties

Compound Name5-hydroxy-2,2,4a-trimethyl-2a,3,4,5,6,7-hexahydro-1H-cyclobuta[i]inden-8-one
PubChem CID4579738
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name5-hydroxy-2,2,4a-trimethyl-2a,3,4,5,6,7-hexahydro-1H-cyclobuta[i]inden-8-one
SMILESCC1(C)CC23C(=O)CCC(O)C2(C)CCC13
InChIInChI=1S/C14H22O2/c1-12(2)8-14-9(12)6-7-13(14,3)10(15)4-5-11(14)16/h9-10,15H,4-8H2,1-3H3
InChIKeyUHRWOVVMQAASAO-UHFFFAOYSA-N
XLogP2.54
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2,2,4a-trimethyl-2a,3,4,5,6,7-hexahydro-1H-cyclobuta[i]inden-8-one?
The IUPAC name of 5-hydroxy-2,2,4a-trimethyl-2a,3,4,5,6,7-hexahydro-1H-cyclobuta[i]inden-8-one (CID 4579738) is 5-hydroxy-2,2,4a-trimethyl-2a,3,4,5,6,7-hexahydro-1H-cyclobuta[i]inden-8-one.
What is the SMILES notation for 5-hydroxy-2,2,4a-trimethyl-2a,3,4,5,6,7-hexahydro-1H-cyclobuta[i]inden-8-one?
The canonical SMILES for 5-hydroxy-2,2,4a-trimethyl-2a,3,4,5,6,7-hexahydro-1H-cyclobuta[i]inden-8-one is CC1(C)CC23C(=O)CCC(O)C2(C)CCC13.
What is the InChIKey of 5-hydroxy-2,2,4a-trimethyl-2a,3,4,5,6,7-hexahydro-1H-cyclobuta[i]inden-8-one?
The InChIKey is UHRWOVVMQAASAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c1-12(2)8-14-9(12)6-7-13(14,3)10(15)4-5-11(14)16/h9-10,15H,4-8H2,1-3H3.
What are the key properties of 5-hydroxy-2,2,4a-trimethyl-2a,3,4,5,6,7-hexahydro-1H-cyclobuta[i]inden-8-one?
5-hydroxy-2,2,4a-trimethyl-2a,3,4,5,6,7-hexahydro-1H-cyclobuta[i]inden-8-one has a molecular weight of 222.33 g/mol, XLogP of 2.54, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2,2,4a-trimethyl-2a,3,4,5,6,7-hexahydro-1H-cyclobuta[i]inden-8-one is sourced from PubChem (CID 4579738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).