7,9,9-trimethyl-8-methylidene-1,4-dioxaspiro[4.5]dec-6-ene

C12H18O2 — CID 10845495

IUPAC7,9,9-trimethyl-8-methylidene-1,4-dioxaspiro[4.5]dec-6-ene
SMILESC=C1C(C)=CC2(CC1(C)C)OCCO2
InChIInChI=1S/C12H18O2/c1-9-7-12(13-5-6-14-12)8-11(3,4)10(9)2/h7H,2,5-6,8H2,1,3-4H3
InChIKeyOLILSPZJIXRXAY-UHFFFAOYSA-N
MW194.27 g/mol
LogP2.66
Rot. Bonds

About 7,9,9-trimethyl-8-methylidene-1,4-dioxaspiro[4.5]dec-6-ene

7,9,9-trimethyl-8-methylidene-1,4-dioxaspiro[4.5]dec-6-ene (PubChem CID 10845495) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is 7,9,9-trimethyl-8-methylidene-1,4-dioxaspiro[4.5]dec-6-ene.

Molecular Properties

Compound Name7,9,9-trimethyl-8-methylidene-1,4-dioxaspiro[4.5]dec-6-ene
PubChem CID10845495
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name7,9,9-trimethyl-8-methylidene-1,4-dioxaspiro[4.5]dec-6-ene
SMILESC=C1C(C)=CC2(CC1(C)C)OCCO2
InChIInChI=1S/C12H18O2/c1-9-7-12(13-5-6-14-12)8-11(3,4)10(9)2/h7H,2,5-6,8H2,1,3-4H3
InChIKeyOLILSPZJIXRXAY-UHFFFAOYSA-N
XLogP2.66
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 7,9,9-trimethyl-8-methylidene-1,4-dioxaspiro[4.5]dec-6-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7,9,9-trimethyl-8-methylidene-1,4-dioxaspiro[4.5]dec-6-ene?
The IUPAC name of 7,9,9-trimethyl-8-methylidene-1,4-dioxaspiro[4.5]dec-6-ene (CID 10845495) is 7,9,9-trimethyl-8-methylidene-1,4-dioxaspiro[4.5]dec-6-ene.
What is the SMILES notation for 7,9,9-trimethyl-8-methylidene-1,4-dioxaspiro[4.5]dec-6-ene?
The canonical SMILES for 7,9,9-trimethyl-8-methylidene-1,4-dioxaspiro[4.5]dec-6-ene is C=C1C(C)=CC2(CC1(C)C)OCCO2.
What is the InChIKey of 7,9,9-trimethyl-8-methylidene-1,4-dioxaspiro[4.5]dec-6-ene?
The InChIKey is OLILSPZJIXRXAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2/c1-9-7-12(13-5-6-14-12)8-11(3,4)10(9)2/h7H,2,5-6,8H2,1,3-4H3.
What are the key properties of 7,9,9-trimethyl-8-methylidene-1,4-dioxaspiro[4.5]dec-6-ene?
7,9,9-trimethyl-8-methylidene-1,4-dioxaspiro[4.5]dec-6-ene has a molecular weight of 194.27 g/mol, XLogP of 2.66, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,9,9-trimethyl-8-methylidene-1,4-dioxaspiro[4.5]dec-6-ene is sourced from PubChem (CID 10845495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).