(5S,6R,10R)-3,6-dimethylspiro[4.5]dec-3-en-10-ol

C12H20O — CID 24749918

IUPAC(5S,6R,10R)-3,6-dimethylspiro[4.5]dec-3-en-10-ol
SMILESCC1=C[C@]2(CC1)[C@H](C)CCC[C@H]2O
InChIInChI=1S/C12H20O/c1-9-6-7-12(8-9)10(2)4-3-5-11(12)13/h8,10-11,13H,3-7H2,1-2H3/t10-,11-,12-/m1/s1
InChIKeyWBHNOMKXWPQCPU-IJLUTSLNSA-N
MW180.29 g/mol
LogP2.89
Rot. Bonds

About (5S,6R,10R)-3,6-dimethylspiro[4.5]dec-3-en-10-ol

(5S,6R,10R)-3,6-dimethylspiro[4.5]dec-3-en-10-ol (PubChem CID 24749918) has the molecular formula C12H20O and a molecular weight of 180.29 g/mol. Its IUPAC name is (5S,6R,10R)-3,6-dimethylspiro[4.5]dec-3-en-10-ol.

Molecular Properties

Compound Name(5S,6R,10R)-3,6-dimethylspiro[4.5]dec-3-en-10-ol
PubChem CID24749918
Molecular FormulaC12H20O
Molecular Weight180.29 g/mol
Exact Mass180.15
IUPAC Name(5S,6R,10R)-3,6-dimethylspiro[4.5]dec-3-en-10-ol
SMILESCC1=C[C@]2(CC1)[C@H](C)CCC[C@H]2O
InChIInChI=1S/C12H20O/c1-9-6-7-12(8-9)10(2)4-3-5-11(12)13/h8,10-11,13H,3-7H2,1-2H3/t10-,11-,12-/m1/s1
InChIKeyWBHNOMKXWPQCPU-IJLUTSLNSA-N
XLogP2.89
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5S,6R,10R)-3,6-dimethylspiro[4.5]dec-3-en-10-ol?
The IUPAC name of (5S,6R,10R)-3,6-dimethylspiro[4.5]dec-3-en-10-ol (CID 24749918) is (5S,6R,10R)-3,6-dimethylspiro[4.5]dec-3-en-10-ol.
What is the SMILES notation for (5S,6R,10R)-3,6-dimethylspiro[4.5]dec-3-en-10-ol?
The canonical SMILES for (5S,6R,10R)-3,6-dimethylspiro[4.5]dec-3-en-10-ol is CC1=C[C@]2(CC1)[C@H](C)CCC[C@H]2O.
What is the InChIKey of (5S,6R,10R)-3,6-dimethylspiro[4.5]dec-3-en-10-ol?
The InChIKey is WBHNOMKXWPQCPU-IJLUTSLNSA-N. The full InChI is InChI=1S/C12H20O/c1-9-6-7-12(8-9)10(2)4-3-5-11(12)13/h8,10-11,13H,3-7H2,1-2H3/t10-,11-,12-/m1/s1.
What are the key properties of (5S,6R,10R)-3,6-dimethylspiro[4.5]dec-3-en-10-ol?
(5S,6R,10R)-3,6-dimethylspiro[4.5]dec-3-en-10-ol has a molecular weight of 180.29 g/mol, XLogP of 2.89, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6R,10R)-3,6-dimethylspiro[4.5]dec-3-en-10-ol is sourced from PubChem (CID 24749918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).