methyl (4R)-4-hydroxy-4,8-dimethylspiro[4.5]deca-6,9-diene-8-carboxylate

C14H20O3 — CID 10977441

IUPACmethyl (4R)-4-hydroxy-4,8-dimethylspiro[4.5]deca-6,9-diene-8-carboxylate
SMILESCOC(=O)C1(C)C=CC2(C=C1)CCC[C@@]2(C)O
InChIInChI=1S/C14H20O3/c1-12(11(15)17-3)7-9-14(10-8-12)6-4-5-13(14,2)16/h7-10,16H,4-6H2,1-3H3/t12?,13-,14?/m1/s1
InChIKeyKQKFPEKVYZMTNH-ROKHWSDSSA-N
MW236.31 g/mol
LogP2.21
Rot. Bonds1

About methyl (4R)-4-hydroxy-4,8-dimethylspiro[4.5]deca-6,9-diene-8-carboxylate

methyl (4R)-4-hydroxy-4,8-dimethylspiro[4.5]deca-6,9-diene-8-carboxylate (PubChem CID 10977441) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is methyl (4R)-4-hydroxy-4,8-dimethylspiro[4.5]deca-6,9-diene-8-carboxylate.

Molecular Properties

Compound Namemethyl (4R)-4-hydroxy-4,8-dimethylspiro[4.5]deca-6,9-diene-8-carboxylate
PubChem CID10977441
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Namemethyl (4R)-4-hydroxy-4,8-dimethylspiro[4.5]deca-6,9-diene-8-carboxylate
SMILESCOC(=O)C1(C)C=CC2(C=C1)CCC[C@@]2(C)O
InChIInChI=1S/C14H20O3/c1-12(11(15)17-3)7-9-14(10-8-12)6-4-5-13(14,2)16/h7-10,16H,4-6H2,1-3H3/t12?,13-,14?/m1/s1
InChIKeyKQKFPEKVYZMTNH-ROKHWSDSSA-N
XLogP2.21
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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methyl 1-ethylsulfanylcyclobutane-1-carboxylate
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CID 727235
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methyl 2-(1-hydroxycyclobutyl)acetate
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Frequently Asked Questions

What is the IUPAC name of methyl (4R)-4-hydroxy-4,8-dimethylspiro[4.5]deca-6,9-diene-8-carboxylate?
The IUPAC name of methyl (4R)-4-hydroxy-4,8-dimethylspiro[4.5]deca-6,9-diene-8-carboxylate (CID 10977441) is methyl (4R)-4-hydroxy-4,8-dimethylspiro[4.5]deca-6,9-diene-8-carboxylate.
What is the SMILES notation for methyl (4R)-4-hydroxy-4,8-dimethylspiro[4.5]deca-6,9-diene-8-carboxylate?
The canonical SMILES for methyl (4R)-4-hydroxy-4,8-dimethylspiro[4.5]deca-6,9-diene-8-carboxylate is COC(=O)C1(C)C=CC2(C=C1)CCC[C@@]2(C)O.
What is the InChIKey of methyl (4R)-4-hydroxy-4,8-dimethylspiro[4.5]deca-6,9-diene-8-carboxylate?
The InChIKey is KQKFPEKVYZMTNH-ROKHWSDSSA-N. The full InChI is InChI=1S/C14H20O3/c1-12(11(15)17-3)7-9-14(10-8-12)6-4-5-13(14,2)16/h7-10,16H,4-6H2,1-3H3/t12?,13-,14?/m1/s1.
What are the key properties of methyl (4R)-4-hydroxy-4,8-dimethylspiro[4.5]deca-6,9-diene-8-carboxylate?
methyl (4R)-4-hydroxy-4,8-dimethylspiro[4.5]deca-6,9-diene-8-carboxylate has a molecular weight of 236.31 g/mol, XLogP of 2.21, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4R)-4-hydroxy-4,8-dimethylspiro[4.5]deca-6,9-diene-8-carboxylate is sourced from PubChem (CID 10977441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).