(E)-but-2-ene;1-tert-butyl-4-methylcyclopenta-1,3-diene;ethane

C16H30 — CID 143856298

IUPAC(E)-but-2-ene;1-tert-butyl-4-methylcyclopenta-1,3-diene;ethane
SMILESC/C=C/C.CC.CC1=CC=C(C(C)(C)C)C1
InChIInChI=1S/C10H16.C4H8.C2H6/c1-8-5-6-9(7-8)10(2,3)4;1-3-4-2;1-2/h5-6H,7H2,1-4H3;3-4H,1-2H3;1-2H3/b;4-3+;
InChIKeyOQHHZEFCSHSRJX-ITDJAWRYSA-N
MW222.42 g/mol
LogP5.92
Rot. Bonds

About (E)-but-2-ene;1-tert-butyl-4-methylcyclopenta-1,3-diene;ethane

(E)-but-2-ene;1-tert-butyl-4-methylcyclopenta-1,3-diene;ethane (PubChem CID 143856298) has the molecular formula C16H30 and a molecular weight of 222.42 g/mol. Its IUPAC name is (E)-but-2-ene;1-tert-butyl-4-methylcyclopenta-1,3-diene;ethane.

Molecular Properties

Compound Name(E)-but-2-ene;1-tert-butyl-4-methylcyclopenta-1,3-diene;ethane
PubChem CID143856298
Molecular FormulaC16H30
Molecular Weight222.42 g/mol
Exact Mass222.23
IUPAC Name(E)-but-2-ene;1-tert-butyl-4-methylcyclopenta-1,3-diene;ethane
SMILESC/C=C/C.CC.CC1=CC=C(C(C)(C)C)C1
InChIInChI=1S/C10H16.C4H8.C2H6/c1-8-5-6-9(7-8)10(2,3)4;1-3-4-2;1-2/h5-6H,7H2,1-4H3;3-4H,1-2H3;1-2H3/b;4-3+;
InChIKeyOQHHZEFCSHSRJX-ITDJAWRYSA-N
XLogP5.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500222.42
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-tert-butyl-4-methylcyclohepta-1,3-diene
CID 90801662
1,4-ditert-butylbenzene;1,4-ditert-butylcyclopenta-1,3-diene;2,5-ditert-butyl-1,4-dihydropentalene
CID 159432157
1,3-ditert-butyl-5-methylcyclohexa-1,4-diene
CID 91230432
1-(4-tert-butylcyclopenta-1,3-dien-1-yl)-2-methylbenzene
CID 21048518
1-methyl-4-(4-methylcyclopenta-1,3-dien-1-yl)cyclopenta-1,3-diene
CID 59165307
6-methyl-1,3-bis(trifluoromethyl)cyclohepta-1,3,5-triene
CID 143436257
(4-tert-butylcyclopenta-1,3-dien-1-yl)benzene
CID 59251609
[1-(4-tert-butylcyclopenta-1,3-dien-1-yl)-2,2-dimethylpropylidene]tungsten
CID 171729999
3-tert-butyl-6-methyl-2H-pyran
CID 565288
1-tert-butyl-4-(4-tert-butylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-diene
CID 91433632
2,2-dimethyl-1-[[1-(4-methylcyclopenta-1,3-dien-1-yl)-1-phenylethyl]amino]propan-1-ol
CID 20647670
1,4-ditert-butyl-5-methylcyclohexa-1,3-diene
CID 174004758

Frequently Asked Questions

What is the IUPAC name of (E)-but-2-ene;1-tert-butyl-4-methylcyclopenta-1,3-diene;ethane?
The IUPAC name of (E)-but-2-ene;1-tert-butyl-4-methylcyclopenta-1,3-diene;ethane (CID 143856298) is (E)-but-2-ene;1-tert-butyl-4-methylcyclopenta-1,3-diene;ethane.
What is the SMILES notation for (E)-but-2-ene;1-tert-butyl-4-methylcyclopenta-1,3-diene;ethane?
The canonical SMILES for (E)-but-2-ene;1-tert-butyl-4-methylcyclopenta-1,3-diene;ethane is C/C=C/C.CC.CC1=CC=C(C(C)(C)C)C1.
What is the InChIKey of (E)-but-2-ene;1-tert-butyl-4-methylcyclopenta-1,3-diene;ethane?
The InChIKey is OQHHZEFCSHSRJX-ITDJAWRYSA-N. The full InChI is InChI=1S/C10H16.C4H8.C2H6/c1-8-5-6-9(7-8)10(2,3)4;1-3-4-2;1-2/h5-6H,7H2,1-4H3;3-4H,1-2H3;1-2H3/b;4-3+;.
What are the key properties of (E)-but-2-ene;1-tert-butyl-4-methylcyclopenta-1,3-diene;ethane?
(E)-but-2-ene;1-tert-butyl-4-methylcyclopenta-1,3-diene;ethane has a molecular weight of 222.42 g/mol, XLogP of 5.92, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-but-2-ene;1-tert-butyl-4-methylcyclopenta-1,3-diene;ethane is sourced from PubChem (CID 143856298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).