(4R,5S)-2,2,4,8-tetramethyl-1,3-dioxaspiro[4.4]non-8-ene

C11H18O2 — CID 101333068

IUPAC(4R,5S)-2,2,4,8-tetramethyl-1,3-dioxaspiro[4.4]non-8-ene
SMILESCC1=C[C@]2(CC1)OC(C)(C)O[C@@H]2C
InChIInChI=1S/C11H18O2/c1-8-5-6-11(7-8)9(2)12-10(3,4)13-11/h7,9H,5-6H2,1-4H3/t9-,11+/m1/s1
InChIKeyOSJTUHRXXSPQJA-KOLCDFICSA-N
MW182.26 g/mol
LogP2.64
Rot. Bonds

About (4R,5S)-2,2,4,8-tetramethyl-1,3-dioxaspiro[4.4]non-8-ene

(4R,5S)-2,2,4,8-tetramethyl-1,3-dioxaspiro[4.4]non-8-ene (PubChem CID 101333068) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is (4R,5S)-2,2,4,8-tetramethyl-1,3-dioxaspiro[4.4]non-8-ene.

Molecular Properties

Compound Name(4R,5S)-2,2,4,8-tetramethyl-1,3-dioxaspiro[4.4]non-8-ene
PubChem CID101333068
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name(4R,5S)-2,2,4,8-tetramethyl-1,3-dioxaspiro[4.4]non-8-ene
SMILESCC1=C[C@]2(CC1)OC(C)(C)O[C@@H]2C
InChIInChI=1S/C11H18O2/c1-8-5-6-11(7-8)9(2)12-10(3,4)13-11/h7,9H,5-6H2,1-4H3/t9-,11+/m1/s1
InChIKeyOSJTUHRXXSPQJA-KOLCDFICSA-N
XLogP2.64
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 162869434
(4R,5R)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxaspiro[4.4]non-8-en-7-one
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6,6,8-trimethyl-1,4-dithiaspiro[4.5]dec-7-ene
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Frequently Asked Questions

What is the IUPAC name of (4R,5S)-2,2,4,8-tetramethyl-1,3-dioxaspiro[4.4]non-8-ene?
The IUPAC name of (4R,5S)-2,2,4,8-tetramethyl-1,3-dioxaspiro[4.4]non-8-ene (CID 101333068) is (4R,5S)-2,2,4,8-tetramethyl-1,3-dioxaspiro[4.4]non-8-ene.
What is the SMILES notation for (4R,5S)-2,2,4,8-tetramethyl-1,3-dioxaspiro[4.4]non-8-ene?
The canonical SMILES for (4R,5S)-2,2,4,8-tetramethyl-1,3-dioxaspiro[4.4]non-8-ene is CC1=C[C@]2(CC1)OC(C)(C)O[C@@H]2C.
What is the InChIKey of (4R,5S)-2,2,4,8-tetramethyl-1,3-dioxaspiro[4.4]non-8-ene?
The InChIKey is OSJTUHRXXSPQJA-KOLCDFICSA-N. The full InChI is InChI=1S/C11H18O2/c1-8-5-6-11(7-8)9(2)12-10(3,4)13-11/h7,9H,5-6H2,1-4H3/t9-,11+/m1/s1.
What are the key properties of (4R,5S)-2,2,4,8-tetramethyl-1,3-dioxaspiro[4.4]non-8-ene?
(4R,5S)-2,2,4,8-tetramethyl-1,3-dioxaspiro[4.4]non-8-ene has a molecular weight of 182.26 g/mol, XLogP of 2.64, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-2,2,4,8-tetramethyl-1,3-dioxaspiro[4.4]non-8-ene is sourced from PubChem (CID 101333068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).