(1S,4R,5S,8S)-4-hydroxy-1,8-dimethyl-4-propan-2-ylspiro[4.5]decane-3,9-dione

C15H24O3 — CID 10800820

IUPAC(1S,4R,5S,8S)-4-hydroxy-1,8-dimethyl-4-propan-2-ylspiro[4.5]decane-3,9-dione
SMILESCC(C)[C@]1(O)C(=O)C[C@H](C)[C@@]12CC[C@H](C)C(=O)C2
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/t10-,11-,14-,15-/m0/s1
InChIKeyLSSIJCQOMTUIIN-GVARAGBVSA-N
MW252.35 g/mol
LogP2.36
Rot. Bonds1

About (1S,4R,5S,8S)-4-hydroxy-1,8-dimethyl-4-propan-2-ylspiro[4.5]decane-3,9-dione

(1S,4R,5S,8S)-4-hydroxy-1,8-dimethyl-4-propan-2-ylspiro[4.5]decane-3,9-dione (PubChem CID 10800820) has the molecular formula C15H24O3 and a molecular weight of 252.35 g/mol. Its IUPAC name is (1S,4R,5S,8S)-4-hydroxy-1,8-dimethyl-4-propan-2-ylspiro[4.5]decane-3,9-dione.

Molecular Properties

Compound Name(1S,4R,5S,8S)-4-hydroxy-1,8-dimethyl-4-propan-2-ylspiro[4.5]decane-3,9-dione
PubChem CID10800820
Molecular FormulaC15H24O3
Molecular Weight252.35 g/mol
Exact Mass252.17
IUPAC Name(1S,4R,5S,8S)-4-hydroxy-1,8-dimethyl-4-propan-2-ylspiro[4.5]decane-3,9-dione
SMILESCC(C)[C@]1(O)C(=O)C[C@H](C)[C@@]12CC[C@H](C)C(=O)C2
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/t10-,11-,14-,15-/m0/s1
InChIKeyLSSIJCQOMTUIIN-GVARAGBVSA-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

Analyze (1S,4R,5S,8S)-4-hydroxy-1,8-dimethyl-4-propan-2-ylspiro[4.5]decane-3,9-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1S,4R,5S,8S)-4-hydroxy-1,8-dimethyl-4-propan-2-ylspiro[4.5]decane-3,9-dione?
The IUPAC name of (1S,4R,5S,8S)-4-hydroxy-1,8-dimethyl-4-propan-2-ylspiro[4.5]decane-3,9-dione (CID 10800820) is (1S,4R,5S,8S)-4-hydroxy-1,8-dimethyl-4-propan-2-ylspiro[4.5]decane-3,9-dione.
What is the SMILES notation for (1S,4R,5S,8S)-4-hydroxy-1,8-dimethyl-4-propan-2-ylspiro[4.5]decane-3,9-dione?
The canonical SMILES for (1S,4R,5S,8S)-4-hydroxy-1,8-dimethyl-4-propan-2-ylspiro[4.5]decane-3,9-dione is CC(C)[C@]1(O)C(=O)C[C@H](C)[C@@]12CC[C@H](C)C(=O)C2.
What is the InChIKey of (1S,4R,5S,8S)-4-hydroxy-1,8-dimethyl-4-propan-2-ylspiro[4.5]decane-3,9-dione?
The InChIKey is LSSIJCQOMTUIIN-GVARAGBVSA-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/t10-,11-,14-,15-/m0/s1.
What are the key properties of (1S,4R,5S,8S)-4-hydroxy-1,8-dimethyl-4-propan-2-ylspiro[4.5]decane-3,9-dione?
(1S,4R,5S,8S)-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 (1S,4R,5S,8S)-4-hydroxy-1,8-dimethyl-4-propan-2-ylspiro[4.5]decane-3,9-dione is sourced from PubChem (CID 10800820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).