2,8,8-trimethyl-3-methylidene-7,9-dioxaspiro[4.5]decane

C12H20O2 — CID 11816428

IUPAC2,8,8-trimethyl-3-methylidene-7,9-dioxaspiro[4.5]decane
SMILESC=C1CC2(COC(C)(C)OC2)CC1C
InChIInChI=1S/C12H20O2/c1-9-5-12(6-10(9)2)7-13-11(3,4)14-8-12/h10H,1,5-8H2,2-4H3
InChIKeyUUNQXRXNUYGZCF-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.74
Rot. Bonds

About 2,8,8-trimethyl-3-methylidene-7,9-dioxaspiro[4.5]decane

2,8,8-trimethyl-3-methylidene-7,9-dioxaspiro[4.5]decane (PubChem CID 11816428) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is 2,8,8-trimethyl-3-methylidene-7,9-dioxaspiro[4.5]decane.

Molecular Properties

Compound Name2,8,8-trimethyl-3-methylidene-7,9-dioxaspiro[4.5]decane
PubChem CID11816428
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name2,8,8-trimethyl-3-methylidene-7,9-dioxaspiro[4.5]decane
SMILESC=C1CC2(COC(C)(C)OC2)CC1C
InChIInChI=1S/C12H20O2/c1-9-5-12(6-10(9)2)7-13-11(3,4)14-8-12/h10H,1,5-8H2,2-4H3
InChIKeyUUNQXRXNUYGZCF-UHFFFAOYSA-N
XLogP2.74
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.74
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

tributyl-[(Z)-(8,8-dimethyl-2-methylidene-7,9-dioxaspiro[4.5]decan-3-ylidene)methyl]stannane
CID 10648511
(3E)-3-(iodomethylidene)-8,8-dimethyl-2-prop-1-en-2-yl-7,9-dioxaspiro[4.5]decane
CID 135041213
[(Z)-[8,8-dimethyl-2-(tributylstannylmethyl)-7,9-dioxaspiro[4.5]decan-3-ylidene]methyl]-trimethylsilane
CID 164687056
3-Ethenyl-8,8-dimethyl-6,10-dioxaspiro[4.5]decane
CID 89284204
2-(2,3-Dimethylbut-3-enyl)-2-ethyl-5,5-dimethyl-1,3-dioxane
CID 167099102
(2R,3S)-3-ethenyl-2,8,8-trimethyl-7,9-dioxaspiro[4.5]decane
CID 11052920
(3Z)-2,8,8-trimethyl-3-prop-2-enylidene-7,9-dioxaspiro[4.5]decane
CID 11299011
Tributyl-[(8,8-dimethyl-3-methylidene-7,9-dioxaspiro[4.5]decan-2-yl)methyl]stannane
CID 177398378
ZINC 3-ethylidene-2-methanidyl-8,8-dimethyl-7,9-dioxaspiro[4.5]decane
CID 177567951
3-Ethylidene-2,8,8-trimethyl-7,9-dioxaspiro[4.5]decane
CID 177567952
(3E)-2,8,8-trimethyl-3-prop-2-enylidene-7,9-dioxaspiro[4.5]decane
CID 177580836

Frequently Asked Questions

What is the IUPAC name of 2,8,8-trimethyl-3-methylidene-7,9-dioxaspiro[4.5]decane?
The IUPAC name of 2,8,8-trimethyl-3-methylidene-7,9-dioxaspiro[4.5]decane (CID 11816428) is 2,8,8-trimethyl-3-methylidene-7,9-dioxaspiro[4.5]decane.
What is the SMILES notation for 2,8,8-trimethyl-3-methylidene-7,9-dioxaspiro[4.5]decane?
The canonical SMILES for 2,8,8-trimethyl-3-methylidene-7,9-dioxaspiro[4.5]decane is C=C1CC2(COC(C)(C)OC2)CC1C.
What is the InChIKey of 2,8,8-trimethyl-3-methylidene-7,9-dioxaspiro[4.5]decane?
The InChIKey is UUNQXRXNUYGZCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c1-9-5-12(6-10(9)2)7-13-11(3,4)14-8-12/h10H,1,5-8H2,2-4H3.
What are the key properties of 2,8,8-trimethyl-3-methylidene-7,9-dioxaspiro[4.5]decane?
2,8,8-trimethyl-3-methylidene-7,9-dioxaspiro[4.5]decane has a molecular weight of 196.29 g/mol, XLogP of 2.74, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8,8-trimethyl-3-methylidene-7,9-dioxaspiro[4.5]decane is sourced from PubChem (CID 11816428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).