methyl (3R,5R)-10-hydroxy-6,10-dimethylspiro[4.5]decane-3-carboxylate

C14H24O3 — CID 102065253

IUPACmethyl (3R,5R)-10-hydroxy-6,10-dimethylspiro[4.5]decane-3-carboxylate
SMILESCOC(=O)[C@@H]1CC[C@@]2(C1)C(C)CCCC2(C)O
InChIInChI=1S/C14H24O3/c1-10-5-4-7-13(2,16)14(10)8-6-11(9-14)12(15)17-3/h10-11,16H,4-9H2,1-3H3/t10?,11-,13?,14-/m1/s1
InChIKeyLQQOZLDYWDVIJB-JNOYHGBFSA-N
MW240.34 g/mol
LogP2.52
Rot. Bonds1

About methyl (3R,5R)-10-hydroxy-6,10-dimethylspiro[4.5]decane-3-carboxylate

methyl (3R,5R)-10-hydroxy-6,10-dimethylspiro[4.5]decane-3-carboxylate (PubChem CID 102065253) has the molecular formula C14H24O3 and a molecular weight of 240.34 g/mol. Its IUPAC name is methyl (3R,5R)-10-hydroxy-6,10-dimethylspiro[4.5]decane-3-carboxylate.

Molecular Properties

Compound Namemethyl (3R,5R)-10-hydroxy-6,10-dimethylspiro[4.5]decane-3-carboxylate
PubChem CID102065253
Molecular FormulaC14H24O3
Molecular Weight240.34 g/mol
Exact Mass240.17
IUPAC Namemethyl (3R,5R)-10-hydroxy-6,10-dimethylspiro[4.5]decane-3-carboxylate
SMILESCOC(=O)[C@@H]1CC[C@@]2(C1)C(C)CCCC2(C)O
InChIInChI=1S/C14H24O3/c1-10-5-4-7-13(2,16)14(10)8-6-11(9-14)12(15)17-3/h10-11,16H,4-9H2,1-3H3/t10?,11-,13?,14-/m1/s1
InChIKeyLQQOZLDYWDVIJB-JNOYHGBFSA-N
XLogP2.52
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.34
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl (3R,5R)-10-hydroxy-6,10-dimethylspiro[4.5]decane-3-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

methyl (3R,5R,6R)-6-methyl-10-oxospiro[4.5]decane-3-carboxylate
CID 135041714
(3R,5R,6R,10S)-3-[(2S)-1-hydroxypropan-2-yl]-6,10-dimethylspiro[4.5]decan-10-ol
CID 11356890
2,2-dimethoxy-1,3-dimethylcyclohexan-1-ol
CID 166746994
methyl 2-ethylspiro[2.5]octane-6-carboxylate
CID 141349397
methyl 2-oxaspiro[3.4]octane-6-carboxylate
CID 165356428
methyl (8R)-1,4-dithiaspiro[4.4]nonane-8-carboxylate
CID 99996163
methyl 10-oxospiro[4.5]decane-3-carboxylate
CID 10536429
1,2,2,3-tetramethylcyclohexan-1-ol;titanium
CID 151433332
methyl 4-amino-4-methylcyclodecane-1-carboxylate
CID 155033061
dimethyl cycloheptane-1,4-dicarboxylate
CID 139878536
methyl cyclobutanecarboxylate;hydrate
CID 175300594
methyl 4-(formamidomethyl)-4-hydroxycyclohexane-1-carboxylate
CID 112535163

Frequently Asked Questions

What is the IUPAC name of methyl (3R,5R)-10-hydroxy-6,10-dimethylspiro[4.5]decane-3-carboxylate?
The IUPAC name of methyl (3R,5R)-10-hydroxy-6,10-dimethylspiro[4.5]decane-3-carboxylate (CID 102065253) is methyl (3R,5R)-10-hydroxy-6,10-dimethylspiro[4.5]decane-3-carboxylate.
What is the SMILES notation for methyl (3R,5R)-10-hydroxy-6,10-dimethylspiro[4.5]decane-3-carboxylate?
The canonical SMILES for methyl (3R,5R)-10-hydroxy-6,10-dimethylspiro[4.5]decane-3-carboxylate is COC(=O)[C@@H]1CC[C@@]2(C1)C(C)CCCC2(C)O.
What is the InChIKey of methyl (3R,5R)-10-hydroxy-6,10-dimethylspiro[4.5]decane-3-carboxylate?
The InChIKey is LQQOZLDYWDVIJB-JNOYHGBFSA-N. The full InChI is InChI=1S/C14H24O3/c1-10-5-4-7-13(2,16)14(10)8-6-11(9-14)12(15)17-3/h10-11,16H,4-9H2,1-3H3/t10?,11-,13?,14-/m1/s1.
What are the key properties of methyl (3R,5R)-10-hydroxy-6,10-dimethylspiro[4.5]decane-3-carboxylate?
methyl (3R,5R)-10-hydroxy-6,10-dimethylspiro[4.5]decane-3-carboxylate has a molecular weight of 240.34 g/mol, XLogP of 2.52, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R,5R)-10-hydroxy-6,10-dimethylspiro[4.5]decane-3-carboxylate is sourced from PubChem (CID 102065253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).