4-hydroxy-1,8-dimethyl-4-propan-2-ylspiro[4.5]decane-3,9-dione

C15H24O3 — CID 85272666

IUPAC4-hydroxy-1,8-dimethyl-4-propan-2-ylspiro[4.5]decane-3,9-dione
SMILESCC1CCC2(CC1=O)C(C)CC(=O)C2(O)C(C)C
InChIInChI=1S/C15H24O3/c1-9(2)15(18)13(17)7-11(4)14(15)6-5-10(3)12(16)8-14/h9-11,18H,5-8H2,1-4H3
InChIKeyLSSIJCQOMTUIIN-UHFFFAOYSA-N
MW252.35 g/mol
LogP2.36
Rot. Bonds1

About 4-hydroxy-1,8-dimethyl-4-propan-2-ylspiro[4.5]decane-3,9-dione

4-hydroxy-1,8-dimethyl-4-propan-2-ylspiro[4.5]decane-3,9-dione (PubChem CID 85272666) has the molecular formula C15H24O3 and a molecular weight of 252.35 g/mol. Its IUPAC name is 4-hydroxy-1,8-dimethyl-4-propan-2-ylspiro[4.5]decane-3,9-dione.

Molecular Properties

Compound Name4-hydroxy-1,8-dimethyl-4-propan-2-ylspiro[4.5]decane-3,9-dione
PubChem CID85272666
Molecular FormulaC15H24O3
Molecular Weight252.35 g/mol
Exact Mass252.17
IUPAC Name4-hydroxy-1,8-dimethyl-4-propan-2-ylspiro[4.5]decane-3,9-dione
SMILESCC1CCC2(CC1=O)C(C)CC(=O)C2(O)C(C)C
InChIInChI=1S/C15H24O3/c1-9(2)15(18)13(17)7-11(4)14(15)6-5-10(3)12(16)8-14/h9-11,18H,5-8H2,1-4H3
InChIKeyLSSIJCQOMTUIIN-UHFFFAOYSA-N
XLogP2.36
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1,8-dimethyl-4-propan-2-ylspiro[4.5]decane-3,9-dione?
The IUPAC name of 4-hydroxy-1,8-dimethyl-4-propan-2-ylspiro[4.5]decane-3,9-dione (CID 85272666) is 4-hydroxy-1,8-dimethyl-4-propan-2-ylspiro[4.5]decane-3,9-dione.
What is the SMILES notation for 4-hydroxy-1,8-dimethyl-4-propan-2-ylspiro[4.5]decane-3,9-dione?
The canonical SMILES for 4-hydroxy-1,8-dimethyl-4-propan-2-ylspiro[4.5]decane-3,9-dione is CC1CCC2(CC1=O)C(C)CC(=O)C2(O)C(C)C.
What is the InChIKey of 4-hydroxy-1,8-dimethyl-4-propan-2-ylspiro[4.5]decane-3,9-dione?
The InChIKey is LSSIJCQOMTUIIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O3/c1-9(2)15(18)13(17)7-11(4)14(15)6-5-10(3)12(16)8-14/h9-11,18H,5-8H2,1-4H3.
What are the key properties of 4-hydroxy-1,8-dimethyl-4-propan-2-ylspiro[4.5]decane-3,9-dione?
4-hydroxy-1,8-dimethyl-4-propan-2-ylspiro[4.5]decane-3,9-dione has a molecular weight of 252.35 g/mol, XLogP of 2.36, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1,8-dimethyl-4-propan-2-ylspiro[4.5]decane-3,9-dione is sourced from PubChem (CID 85272666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).