10-tert-butyl-3,3-dimethyl-8-methylidene-9-[(E)-prop-1-enyl]-2,4-dioxaspiro[5.5]undec-9-ene

C19H30O2 — CID 11066209

IUPAC10-tert-butyl-3,3-dimethyl-8-methylidene-9-[(E)-prop-1-enyl]-2,4-dioxaspiro[5.5]undec-9-ene
SMILESC=C1CC2(COC(C)(C)OC2)CC(C(C)(C)C)=C1/C=C/C
InChIInChI=1S/C19H30O2/c1-8-9-15-14(2)10-19(11-16(15)17(3,4)5)12-20-18(6,7)21-13-19/h8-9H,2,10-13H2,1,3-7H3/b9-8+
InChIKeyUSTYKDZBCMBKAA-CMDGGOBGSA-N
MW290.45 g/mol
LogP5.02
Rot. Bonds1

About 10-tert-butyl-3,3-dimethyl-8-methylidene-9-[(E)-prop-1-enyl]-2,4-dioxaspiro[5.5]undec-9-ene

10-tert-butyl-3,3-dimethyl-8-methylidene-9-[(E)-prop-1-enyl]-2,4-dioxaspiro[5.5]undec-9-ene (PubChem CID 11066209) has the molecular formula C19H30O2 and a molecular weight of 290.45 g/mol. Its IUPAC name is 10-tert-butyl-3,3-dimethyl-8-methylidene-9-[(E)-prop-1-enyl]-2,4-dioxaspiro[5.5]undec-9-ene.

Molecular Properties

Compound Name10-tert-butyl-3,3-dimethyl-8-methylidene-9-[(E)-prop-1-enyl]-2,4-dioxaspiro[5.5]undec-9-ene
PubChem CID11066209
Molecular FormulaC19H30O2
Molecular Weight290.45 g/mol
Exact Mass290.22
IUPAC Name10-tert-butyl-3,3-dimethyl-8-methylidene-9-[(E)-prop-1-enyl]-2,4-dioxaspiro[5.5]undec-9-ene
SMILESC=C1CC2(COC(C)(C)OC2)CC(C(C)(C)C)=C1/C=C/C
InChIInChI=1S/C19H30O2/c1-8-9-15-14(2)10-19(11-16(15)17(3,4)5)12-20-18(6,7)21-13-19/h8-9H,2,10-13H2,1,3-7H3/b9-8+
InChIKeyUSTYKDZBCMBKAA-CMDGGOBGSA-N
XLogP5.02
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.45
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 10-tert-butyl-3,3-dimethyl-8-methylidene-9-[(E)-prop-1-enyl]-2,4-dioxaspiro[5.5]undec-9-ene?
The IUPAC name of 10-tert-butyl-3,3-dimethyl-8-methylidene-9-[(E)-prop-1-enyl]-2,4-dioxaspiro[5.5]undec-9-ene (CID 11066209) is 10-tert-butyl-3,3-dimethyl-8-methylidene-9-[(E)-prop-1-enyl]-2,4-dioxaspiro[5.5]undec-9-ene.
What is the SMILES notation for 10-tert-butyl-3,3-dimethyl-8-methylidene-9-[(E)-prop-1-enyl]-2,4-dioxaspiro[5.5]undec-9-ene?
The canonical SMILES for 10-tert-butyl-3,3-dimethyl-8-methylidene-9-[(E)-prop-1-enyl]-2,4-dioxaspiro[5.5]undec-9-ene is C=C1CC2(COC(C)(C)OC2)CC(C(C)(C)C)=C1/C=C/C.
What is the InChIKey of 10-tert-butyl-3,3-dimethyl-8-methylidene-9-[(E)-prop-1-enyl]-2,4-dioxaspiro[5.5]undec-9-ene?
The InChIKey is USTYKDZBCMBKAA-CMDGGOBGSA-N. The full InChI is InChI=1S/C19H30O2/c1-8-9-15-14(2)10-19(11-16(15)17(3,4)5)12-20-18(6,7)21-13-19/h8-9H,2,10-13H2,1,3-7H3/b9-8+.
What are the key properties of 10-tert-butyl-3,3-dimethyl-8-methylidene-9-[(E)-prop-1-enyl]-2,4-dioxaspiro[5.5]undec-9-ene?
10-tert-butyl-3,3-dimethyl-8-methylidene-9-[(E)-prop-1-enyl]-2,4-dioxaspiro[5.5]undec-9-ene has a molecular weight of 290.45 g/mol, XLogP of 5.02, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-tert-butyl-3,3-dimethyl-8-methylidene-9-[(E)-prop-1-enyl]-2,4-dioxaspiro[5.5]undec-9-ene is sourced from PubChem (CID 11066209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).