8-tert-butyl-3,3,10-trimethyl-9-[(E)-prop-1-enyl]-2,4-dioxaspiro[5.5]undeca-8,10-diene

C19H30O2 — CID 11069705

IUPAC8-tert-butyl-3,3,10-trimethyl-9-[(E)-prop-1-enyl]-2,4-dioxaspiro[5.5]undeca-8,10-diene
SMILESC/C=C/C1=C(C(C)(C)C)CC2(C=C1C)COC(C)(C)OC2
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/h8-10H,11-13H2,1-7H3/b9-8+
InChIKeyHFWKLHDWCOTDEO-CMDGGOBGSA-N
MW290.45 g/mol
LogP5.02
Rot. Bonds1

About 8-tert-butyl-3,3,10-trimethyl-9-[(E)-prop-1-enyl]-2,4-dioxaspiro[5.5]undeca-8,10-diene

8-tert-butyl-3,3,10-trimethyl-9-[(E)-prop-1-enyl]-2,4-dioxaspiro[5.5]undeca-8,10-diene (PubChem CID 11069705) has the molecular formula C19H30O2 and a molecular weight of 290.45 g/mol. Its IUPAC name is 8-tert-butyl-3,3,10-trimethyl-9-[(E)-prop-1-enyl]-2,4-dioxaspiro[5.5]undeca-8,10-diene.

Molecular Properties

Compound Name8-tert-butyl-3,3,10-trimethyl-9-[(E)-prop-1-enyl]-2,4-dioxaspiro[5.5]undeca-8,10-diene
PubChem CID11069705
Molecular FormulaC19H30O2
Molecular Weight290.45 g/mol
Exact Mass290.22
IUPAC Name8-tert-butyl-3,3,10-trimethyl-9-[(E)-prop-1-enyl]-2,4-dioxaspiro[5.5]undeca-8,10-diene
SMILESC/C=C/C1=C(C(C)(C)C)CC2(C=C1C)COC(C)(C)OC2
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/h8-10H,11-13H2,1-7H3/b9-8+
InChIKeyHFWKLHDWCOTDEO-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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Related Compounds

3,3-Dimethyl-2,4-dioxaspiro[5.5]undec-9-ene
CID 20307661
10-tert-butyl-3,3-dimethyl-8-methylidene-9-[(E)-prop-1-enyl]-2,4-dioxaspiro[5.5]undec-9-ene
CID 11066209
CID 11069704
CID 11069704
CID 134899914
CID 134899914
(4aR,8aR)-6-cyclohexa-1,3-dien-1-yl-2,2,4a-trimethyl-4,7,8,8a-tetrahydro-1,3-benzodioxine
CID 134981863
3-Ethyl-3-methyl-2,4-dioxaspiro[5.5]undec-9-ene
CID 20307653
propane;2',2',5,5-tetramethylspiro[1,3-dioxane-2,6'-5,7-dihydro-4H-indene]
CID 142056536
(2R,4S,7R)-7-(methoxymethyl)-2,4,9,11-tetramethyl-1,5-dioxaspiro[5.6]dodeca-8,10-diene
CID 11230910
(3Z)-2,8,8-trimethyl-3-prop-2-enylidene-7,9-dioxaspiro[4.5]decane
CID 11299011
3-Ethenyl-8,8-dimethyl-7,9-dioxaspiro[4.5]dec-2-ene
CID 11333029
2-(3-Ethenylpent-3-enyl)-2,5,5-trimethyl-1,3-dioxane
CID 23252953
2-[2,2-Dimethyl-5-(2-methylideneoct-3-en-1-yl)-1,3-dioxan-5-yl]ethan-1-ol
CID 71375448

Frequently Asked Questions

What is the IUPAC name of 8-tert-butyl-3,3,10-trimethyl-9-[(E)-prop-1-enyl]-2,4-dioxaspiro[5.5]undeca-8,10-diene?
The IUPAC name of 8-tert-butyl-3,3,10-trimethyl-9-[(E)-prop-1-enyl]-2,4-dioxaspiro[5.5]undeca-8,10-diene (CID 11069705) is 8-tert-butyl-3,3,10-trimethyl-9-[(E)-prop-1-enyl]-2,4-dioxaspiro[5.5]undeca-8,10-diene.
What is the SMILES notation for 8-tert-butyl-3,3,10-trimethyl-9-[(E)-prop-1-enyl]-2,4-dioxaspiro[5.5]undeca-8,10-diene?
The canonical SMILES for 8-tert-butyl-3,3,10-trimethyl-9-[(E)-prop-1-enyl]-2,4-dioxaspiro[5.5]undeca-8,10-diene is C/C=C/C1=C(C(C)(C)C)CC2(C=C1C)COC(C)(C)OC2.
What is the InChIKey of 8-tert-butyl-3,3,10-trimethyl-9-[(E)-prop-1-enyl]-2,4-dioxaspiro[5.5]undeca-8,10-diene?
The InChIKey is HFWKLHDWCOTDEO-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/h8-10H,11-13H2,1-7H3/b9-8+.
What are the key properties of 8-tert-butyl-3,3,10-trimethyl-9-[(E)-prop-1-enyl]-2,4-dioxaspiro[5.5]undeca-8,10-diene?
8-tert-butyl-3,3,10-trimethyl-9-[(E)-prop-1-enyl]-2,4-dioxaspiro[5.5]undeca-8,10-diene 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 8-tert-butyl-3,3,10-trimethyl-9-[(E)-prop-1-enyl]-2,4-dioxaspiro[5.5]undeca-8,10-diene is sourced from PubChem (CID 11069705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).