7,9,9-trimethyl-8-propan-2-ylidene-1,4-dioxaspiro[4.5]dec-6-ene

C14H22O2 — CID 10775415

IUPAC7,9,9-trimethyl-8-propan-2-ylidene-1,4-dioxaspiro[4.5]dec-6-ene
SMILESCC1=CC2(CC(C)(C)C1=C(C)C)OCCO2
InChIInChI=1S/C14H22O2/c1-10(2)12-11(3)8-14(9-13(12,4)5)15-6-7-16-14/h8H,6-7,9H2,1-5H3
InChIKeyGDBQZNYOJJLHFF-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.44
Rot. Bonds

About 7,9,9-trimethyl-8-propan-2-ylidene-1,4-dioxaspiro[4.5]dec-6-ene

7,9,9-trimethyl-8-propan-2-ylidene-1,4-dioxaspiro[4.5]dec-6-ene (PubChem CID 10775415) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 7,9,9-trimethyl-8-propan-2-ylidene-1,4-dioxaspiro[4.5]dec-6-ene.

Molecular Properties

Compound Name7,9,9-trimethyl-8-propan-2-ylidene-1,4-dioxaspiro[4.5]dec-6-ene
PubChem CID10775415
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name7,9,9-trimethyl-8-propan-2-ylidene-1,4-dioxaspiro[4.5]dec-6-ene
SMILESCC1=CC2(CC(C)(C)C1=C(C)C)OCCO2
InChIInChI=1S/C14H22O2/c1-10(2)12-11(3)8-14(9-13(12,4)5)15-6-7-16-14/h8H,6-7,9H2,1-5H3
InChIKeyGDBQZNYOJJLHFF-UHFFFAOYSA-N
XLogP3.44
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7,9,9-trimethyl-8-propan-2-ylidene-1,4-dioxaspiro[4.5]dec-6-ene?
The IUPAC name of 7,9,9-trimethyl-8-propan-2-ylidene-1,4-dioxaspiro[4.5]dec-6-ene (CID 10775415) is 7,9,9-trimethyl-8-propan-2-ylidene-1,4-dioxaspiro[4.5]dec-6-ene.
What is the SMILES notation for 7,9,9-trimethyl-8-propan-2-ylidene-1,4-dioxaspiro[4.5]dec-6-ene?
The canonical SMILES for 7,9,9-trimethyl-8-propan-2-ylidene-1,4-dioxaspiro[4.5]dec-6-ene is CC1=CC2(CC(C)(C)C1=C(C)C)OCCO2.
What is the InChIKey of 7,9,9-trimethyl-8-propan-2-ylidene-1,4-dioxaspiro[4.5]dec-6-ene?
The InChIKey is GDBQZNYOJJLHFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c1-10(2)12-11(3)8-14(9-13(12,4)5)15-6-7-16-14/h8H,6-7,9H2,1-5H3.
What are the key properties of 7,9,9-trimethyl-8-propan-2-ylidene-1,4-dioxaspiro[4.5]dec-6-ene?
7,9,9-trimethyl-8-propan-2-ylidene-1,4-dioxaspiro[4.5]dec-6-ene has a molecular weight of 222.33 g/mol, XLogP of 3.44, 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-propan-2-ylidene-1,4-dioxaspiro[4.5]dec-6-ene is sourced from PubChem (CID 10775415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).