2,2,7,7-tetramethyl-1,6-dioxaspiro[4.4]non-3-ene

C11H18O2 — CID 10899299

IUPAC2,2,7,7-tetramethyl-1,6-dioxaspiro[4.4]non-3-ene
SMILESCC1(C)C=CC2(CCC(C)(C)O2)O1
InChIInChI=1S/C11H18O2/c1-9(2)5-7-11(12-9)8-6-10(3,4)13-11/h5,7H,6,8H2,1-4H3
InChIKeyAKLWIMZXBONTDH-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.64
Rot. Bonds

About 2,2,7,7-tetramethyl-1,6-dioxaspiro[4.4]non-3-ene

2,2,7,7-tetramethyl-1,6-dioxaspiro[4.4]non-3-ene (PubChem CID 10899299) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 2,2,7,7-tetramethyl-1,6-dioxaspiro[4.4]non-3-ene.

Molecular Properties

Compound Name2,2,7,7-tetramethyl-1,6-dioxaspiro[4.4]non-3-ene
PubChem CID10899299
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name2,2,7,7-tetramethyl-1,6-dioxaspiro[4.4]non-3-ene
SMILESCC1(C)C=CC2(CCC(C)(C)O2)O1
InChIInChI=1S/C11H18O2/c1-9(2)5-7-11(12-9)8-6-10(3,4)13-11/h5,7H,6,8H2,1-4H3
InChIKeyAKLWIMZXBONTDH-UHFFFAOYSA-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

(5R)-2,2,7,7-tetramethyl-1,6-dioxaspiro[4.4]non-3-ene
CID 101921734
2,2,9-Trimethyl-1,6-dioxaspiro[4.4]non-3-ene
CID 91988422
(5R,9S)-2,2,9-trimethyl-1,6-dioxaspiro[4.4]non-3-ene
CID 101921735
(5R,9R)-2,2,9-trimethyl-1,6-dioxaspiro[4.4]non-3-ene
CID 101921736
2,2,3,3,10,10,11,11-Octamethyl-1,4,9,12-tetraoxadispiro[4.2.48.25]tetradec-13-ene
CID 118300374
2,2,9-Trimethyl-1,6-dioxaspiro[4.4]non-8-ene
CID 10352081
(5R)-4,6-dioxadispiro[4.1.57.25]tetradec-13-ene
CID 101805739

Frequently Asked Questions

What is the IUPAC name of 2,2,7,7-tetramethyl-1,6-dioxaspiro[4.4]non-3-ene?
The IUPAC name of 2,2,7,7-tetramethyl-1,6-dioxaspiro[4.4]non-3-ene (CID 10899299) is 2,2,7,7-tetramethyl-1,6-dioxaspiro[4.4]non-3-ene.
What is the SMILES notation for 2,2,7,7-tetramethyl-1,6-dioxaspiro[4.4]non-3-ene?
The canonical SMILES for 2,2,7,7-tetramethyl-1,6-dioxaspiro[4.4]non-3-ene is CC1(C)C=CC2(CCC(C)(C)O2)O1.
What is the InChIKey of 2,2,7,7-tetramethyl-1,6-dioxaspiro[4.4]non-3-ene?
The InChIKey is AKLWIMZXBONTDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-9(2)5-7-11(12-9)8-6-10(3,4)13-11/h5,7H,6,8H2,1-4H3.
What are the key properties of 2,2,7,7-tetramethyl-1,6-dioxaspiro[4.4]non-3-ene?
2,2,7,7-tetramethyl-1,6-dioxaspiro[4.4]non-3-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 2,2,7,7-tetramethyl-1,6-dioxaspiro[4.4]non-3-ene is sourced from PubChem (CID 10899299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).