5,5-dimethyl-1,9-dioxaspiro[5.5]undec-2-ene

C11H18O2 — CID 642963

IUPAC5,5-dimethyl-1,9-dioxaspiro[5.5]undec-2-ene
SMILESCC1(C)CC=COC12CCOCC2
InChIInChI=1S/C11H18O2/c1-10(2)4-3-7-13-11(10)5-8-12-9-6-11/h3,7H,4-6,8-9H2,1-2H3
InChIKeyCRBWMRLPKIBTDC-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.50
Rot. Bonds

About 5,5-dimethyl-1,9-dioxaspiro[5.5]undec-2-ene

5,5-dimethyl-1,9-dioxaspiro[5.5]undec-2-ene (PubChem CID 642963) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 5,5-dimethyl-1,9-dioxaspiro[5.5]undec-2-ene.

Molecular Properties

Compound Name5,5-dimethyl-1,9-dioxaspiro[5.5]undec-2-ene
PubChem CID642963
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name5,5-dimethyl-1,9-dioxaspiro[5.5]undec-2-ene
SMILESCC1(C)CC=COC12CCOCC2
InChIInChI=1S/C11H18O2/c1-10(2)4-3-7-13-11(10)5-8-12-9-6-11/h3,7H,4-6,8-9H2,1-2H3
InChIKeyCRBWMRLPKIBTDC-UHFFFAOYSA-N
XLogP2.50
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 ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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2-[2-(3,4-dihydro-2H-pyran-2-yl)propan-2-yl]-3,4-dihydro-2H-pyran
CID 90229625
2-[2-(3,4-dihydro-2H-pyran-2-yl)butan-2-yl]-3,4-dihydro-2H-pyran
CID 122444626
2,2,4-Trimethyl-4-prop-2-enyloxane
CID 129106228
3-(4-methyloxan-4-yl)-3,4-dihydro-2H-pyran
CID 141378568
4,4-Bis(ethenyl)-2,2,3,3-tetramethyloxane
CID 151373248
(3R)-3,4-dimethyl-3,4-dihydro-2H-pyran;(3S,5R)-2,3,4,5-tetramethyloxane
CID 158761039

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-1,9-dioxaspiro[5.5]undec-2-ene?
The IUPAC name of 5,5-dimethyl-1,9-dioxaspiro[5.5]undec-2-ene (CID 642963) is 5,5-dimethyl-1,9-dioxaspiro[5.5]undec-2-ene.
What is the SMILES notation for 5,5-dimethyl-1,9-dioxaspiro[5.5]undec-2-ene?
The canonical SMILES for 5,5-dimethyl-1,9-dioxaspiro[5.5]undec-2-ene is CC1(C)CC=COC12CCOCC2.
What is the InChIKey of 5,5-dimethyl-1,9-dioxaspiro[5.5]undec-2-ene?
The InChIKey is CRBWMRLPKIBTDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-10(2)4-3-7-13-11(10)5-8-12-9-6-11/h3,7H,4-6,8-9H2,1-2H3.
What are the key properties of 5,5-dimethyl-1,9-dioxaspiro[5.5]undec-2-ene?
5,5-dimethyl-1,9-dioxaspiro[5.5]undec-2-ene has a molecular weight of 182.26 g/mol, XLogP of 2.50, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-1,9-dioxaspiro[5.5]undec-2-ene is sourced from PubChem (CID 642963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).