(2Z)-3-tert-butyl-4-methyl-2-[(E)-2-methylbut-2-enylidene]pyran

C15H22O — CID 102331246

IUPAC(2Z)-3-tert-butyl-4-methyl-2-[(E)-2-methylbut-2-enylidene]pyran
SMILESC/C=C(C)/C=C1\OC=CC(C)=C1C(C)(C)C
InChIInChI=1S/C15H22O/c1-7-11(2)10-13-14(15(4,5)6)12(3)8-9-16-13/h7-10H,1-6H3/b11-7+,13-10-
InChIKeyYQDQUXFOOXFNNA-JSJZFMHOSA-N
MW218.34 g/mol
LogP4.74
Rot. Bonds1

About (2Z)-3-tert-butyl-4-methyl-2-[(E)-2-methylbut-2-enylidene]pyran

(2Z)-3-tert-butyl-4-methyl-2-[(E)-2-methylbut-2-enylidene]pyran (PubChem CID 102331246) has the molecular formula C15H22O and a molecular weight of 218.34 g/mol. Its IUPAC name is (2Z)-3-tert-butyl-4-methyl-2-[(E)-2-methylbut-2-enylidene]pyran.

Molecular Properties

Compound Name(2Z)-3-tert-butyl-4-methyl-2-[(E)-2-methylbut-2-enylidene]pyran
PubChem CID102331246
Molecular FormulaC15H22O
Molecular Weight218.34 g/mol
Exact Mass218.17
IUPAC Name(2Z)-3-tert-butyl-4-methyl-2-[(E)-2-methylbut-2-enylidene]pyran
SMILESC/C=C(C)/C=C1\OC=CC(C)=C1C(C)(C)C
InChIInChI=1S/C15H22O/c1-7-11(2)10-13-14(15(4,5)6)12(3)8-9-16-13/h7-10H,1-6H3/b11-7+,13-10-
InChIKeyYQDQUXFOOXFNNA-JSJZFMHOSA-N
XLogP4.74
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(1R,4S)-7-[(E)-2-methylbut-2-enylidene]-2,3-dioxabicyclo[2.2.1]heptane
CID 101416736
4-[(Z)-2-methylbut-2-enylidene]cyclopentene
CID 143194573
ethane;(5E)-5-[(Z)-2-methylbut-2-enylidene]cyclohexa-1,3-diene
CID 143292269
2-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-5-methylfuran-3-one
CID 75599197
(2E,3Z)-3-ethylidene-4-methyl-2-[(Z)-2-methylbut-2-enylidene]-1H-pyrrole
CID 88538217
[(3S,3aR,5aR,9bR)-3,5a,9-trimethyl-2,8-dioxo-3a,4,5,9b-tetrahydrobenzo[g][1]benzofuran-3-yl] (Z)-2-methylbut-2-enoate
CID 11024385
(2-methyl-4-oxopyran-3-yl) (Z)-2-methylbut-2-enoate
CID 176754547
1-[(E)-but-2-en-2-yl]oxy-4-tert-butylbenzene
CID 143090880
(4E)-2,5-dimethyl-4-[(Z)-2-methylbut-2-enylidene]-5H-pyrimidine
CID 143569867
3-(2,3-dimethylbut-2-enylidene)cyclopropene
CID 123150563
(Z)-3-(4-tert-butylphenyl)-2-methylprop-2-enal
CID 22791862
1,4,5,8-tetratert-butylnaphthalene-2,3-dione
CID 162075869

Frequently Asked Questions

What is the IUPAC name of (2Z)-3-tert-butyl-4-methyl-2-[(E)-2-methylbut-2-enylidene]pyran?
The IUPAC name of (2Z)-3-tert-butyl-4-methyl-2-[(E)-2-methylbut-2-enylidene]pyran (CID 102331246) is (2Z)-3-tert-butyl-4-methyl-2-[(E)-2-methylbut-2-enylidene]pyran.
What is the SMILES notation for (2Z)-3-tert-butyl-4-methyl-2-[(E)-2-methylbut-2-enylidene]pyran?
The canonical SMILES for (2Z)-3-tert-butyl-4-methyl-2-[(E)-2-methylbut-2-enylidene]pyran is C/C=C(C)/C=C1\OC=CC(C)=C1C(C)(C)C.
What is the InChIKey of (2Z)-3-tert-butyl-4-methyl-2-[(E)-2-methylbut-2-enylidene]pyran?
The InChIKey is YQDQUXFOOXFNNA-JSJZFMHOSA-N. The full InChI is InChI=1S/C15H22O/c1-7-11(2)10-13-14(15(4,5)6)12(3)8-9-16-13/h7-10H,1-6H3/b11-7+,13-10-.
What are the key properties of (2Z)-3-tert-butyl-4-methyl-2-[(E)-2-methylbut-2-enylidene]pyran?
(2Z)-3-tert-butyl-4-methyl-2-[(E)-2-methylbut-2-enylidene]pyran has a molecular weight of 218.34 g/mol, XLogP of 4.74, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-3-tert-butyl-4-methyl-2-[(E)-2-methylbut-2-enylidene]pyran is sourced from PubChem (CID 102331246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).