1-(3-methylbut-2-en-2-yl)cycloheptene

C12H20 — CID 101022313

IUPAC1-(3-methylbut-2-en-2-yl)cycloheptene
SMILESCC(C)=C(C)C1=CCCCCC1
InChIInChI=1S/C12H20/c1-10(2)11(3)12-8-6-4-5-7-9-12/h8H,4-7,9H2,1-3H3
InChIKeyGOUIYEUITZXEAP-UHFFFAOYSA-N
MW164.29 g/mol
LogP4.23
Rot. Bonds1

About 1-(3-methylbut-2-en-2-yl)cycloheptene

1-(3-methylbut-2-en-2-yl)cycloheptene (PubChem CID 101022313) has the molecular formula C12H20 and a molecular weight of 164.29 g/mol. Its IUPAC name is 1-(3-methylbut-2-en-2-yl)cycloheptene.

Molecular Properties

Compound Name1-(3-methylbut-2-en-2-yl)cycloheptene
PubChem CID101022313
Molecular FormulaC12H20
Molecular Weight164.29 g/mol
Exact Mass164.16
IUPAC Name1-(3-methylbut-2-en-2-yl)cycloheptene
SMILESCC(C)=C(C)C1=CCCCCC1
InChIInChI=1S/C12H20/c1-10(2)11(3)12-8-6-4-5-7-9-12/h8H,4-7,9H2,1-3H3
InChIKeyGOUIYEUITZXEAP-UHFFFAOYSA-N
XLogP4.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.29
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(cyclohexen-1-yl)propane-1,2-dione
CID 68719323
1-(cyclohexen-1-yl)ethanone;propane
CID 142317492
methyl cyclododecene-1-carboxylate
CID 54564642
cycloheptene-1-carboxamide
CID 22261654
1-(cyclohexen-1-yl)-2,3,3-trimethylbut-1-en-1-ol
CID 161095188
[(E)-2-(cyclohexen-1-yl)prop-1-enyl]-dimethylalumane
CID 16688139
1-(cycloocten-1-yl)-2,3-dimethylbutan-1-one
CID 106655769
aluminum tris(cycloheptene-1-carboxylate)
CID 22604888
2-amino-1-(cyclohepten-1-yl)propan-1-one
CID 106655132
cycloocten-1-yl-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 106655849
ethyl cycloundecene-1-carboxylate
CID 154164177
N,N-dimethylcyclohexene-1-carboxamide
CID 11019067

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbut-2-en-2-yl)cycloheptene?
The IUPAC name of 1-(3-methylbut-2-en-2-yl)cycloheptene (CID 101022313) is 1-(3-methylbut-2-en-2-yl)cycloheptene.
What is the SMILES notation for 1-(3-methylbut-2-en-2-yl)cycloheptene?
The canonical SMILES for 1-(3-methylbut-2-en-2-yl)cycloheptene is CC(C)=C(C)C1=CCCCCC1.
What is the InChIKey of 1-(3-methylbut-2-en-2-yl)cycloheptene?
The InChIKey is GOUIYEUITZXEAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20/c1-10(2)11(3)12-8-6-4-5-7-9-12/h8H,4-7,9H2,1-3H3.
What are the key properties of 1-(3-methylbut-2-en-2-yl)cycloheptene?
1-(3-methylbut-2-en-2-yl)cycloheptene has a molecular weight of 164.29 g/mol, XLogP of 4.23, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbut-2-en-2-yl)cycloheptene is sourced from PubChem (CID 101022313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).