(8R)-9-(1,1-dimethoxyethyl)-8-methylspiro[4.5]decane

C15H28O2 — CID 130361478

IUPAC(8R)-9-(1,1-dimethoxyethyl)-8-methylspiro[4.5]decane
SMILESCOC(C)(OC)C1CC2(CCCC2)CC[C@H]1C
InChIInChI=1S/C15H28O2/c1-12-7-10-15(8-5-6-9-15)11-13(12)14(2,16-3)17-4/h12-13H,5-11H2,1-4H3/t12-,13?/m1/s1
InChIKeyUTGXKJSKDOMJCJ-PZORYLMUSA-N
MW240.39 g/mol
LogP3.99
Rot. Bonds3

About (8R)-9-(1,1-dimethoxyethyl)-8-methylspiro[4.5]decane

(8R)-9-(1,1-dimethoxyethyl)-8-methylspiro[4.5]decane (PubChem CID 130361478) has the molecular formula C15H28O2 and a molecular weight of 240.39 g/mol. Its IUPAC name is (8R)-9-(1,1-dimethoxyethyl)-8-methylspiro[4.5]decane.

Molecular Properties

Compound Name(8R)-9-(1,1-dimethoxyethyl)-8-methylspiro[4.5]decane
PubChem CID130361478
Molecular FormulaC15H28O2
Molecular Weight240.39 g/mol
Exact Mass240.21
IUPAC Name(8R)-9-(1,1-dimethoxyethyl)-8-methylspiro[4.5]decane
SMILESCOC(C)(OC)C1CC2(CCCC2)CC[C@H]1C
InChIInChI=1S/C15H28O2/c1-12-7-10-15(8-5-6-9-15)11-13(12)14(2,16-3)17-4/h12-13H,5-11H2,1-4H3/t12-,13?/m1/s1
InChIKeyUTGXKJSKDOMJCJ-PZORYLMUSA-N
XLogP3.99
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (8R)-9-(1,1-dimethoxyethyl)-8-methylspiro[4.5]decane?
The IUPAC name of (8R)-9-(1,1-dimethoxyethyl)-8-methylspiro[4.5]decane (CID 130361478) is (8R)-9-(1,1-dimethoxyethyl)-8-methylspiro[4.5]decane.
What is the SMILES notation for (8R)-9-(1,1-dimethoxyethyl)-8-methylspiro[4.5]decane?
The canonical SMILES for (8R)-9-(1,1-dimethoxyethyl)-8-methylspiro[4.5]decane is COC(C)(OC)C1CC2(CCCC2)CC[C@H]1C.
What is the InChIKey of (8R)-9-(1,1-dimethoxyethyl)-8-methylspiro[4.5]decane?
The InChIKey is UTGXKJSKDOMJCJ-PZORYLMUSA-N. The full InChI is InChI=1S/C15H28O2/c1-12-7-10-15(8-5-6-9-15)11-13(12)14(2,16-3)17-4/h12-13H,5-11H2,1-4H3/t12-,13?/m1/s1.
What are the key properties of (8R)-9-(1,1-dimethoxyethyl)-8-methylspiro[4.5]decane?
(8R)-9-(1,1-dimethoxyethyl)-8-methylspiro[4.5]decane has a molecular weight of 240.39 g/mol, XLogP of 3.99, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8R)-9-(1,1-dimethoxyethyl)-8-methylspiro[4.5]decane is sourced from PubChem (CID 130361478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).