1-(3-methylbut-1-en-2-yl)-2-prop-1-en-2-ylcyclopentene

C13H20 — CID 144672215

IUPAC1-(3-methylbut-1-en-2-yl)-2-prop-1-en-2-ylcyclopentene
SMILESC=C(C)C1=C(C(=C)C(C)C)CCC1
InChIInChI=1S/C13H20/c1-9(2)11(5)13-8-6-7-12(13)10(3)4/h9H,3,5-8H2,1-2,4H3
InChIKeyWVBVCRVTLFQCHO-UHFFFAOYSA-N
MW176.30 g/mol
LogP4.26
Rot. Bonds3

About 1-(3-methylbut-1-en-2-yl)-2-prop-1-en-2-ylcyclopentene

1-(3-methylbut-1-en-2-yl)-2-prop-1-en-2-ylcyclopentene (PubChem CID 144672215) has the molecular formula C13H20 and a molecular weight of 176.30 g/mol. Its IUPAC name is 1-(3-methylbut-1-en-2-yl)-2-prop-1-en-2-ylcyclopentene.

Molecular Properties

Compound Name1-(3-methylbut-1-en-2-yl)-2-prop-1-en-2-ylcyclopentene
PubChem CID144672215
Molecular FormulaC13H20
Molecular Weight176.30 g/mol
Exact Mass176.16
IUPAC Name1-(3-methylbut-1-en-2-yl)-2-prop-1-en-2-ylcyclopentene
SMILESC=C(C)C1=C(C(=C)C(C)C)CCC1
InChIInChI=1S/C13H20/c1-9(2)11(5)13-8-6-7-12(13)10(3)4/h9H,3,5-8H2,1-2,4H3
InChIKeyWVBVCRVTLFQCHO-UHFFFAOYSA-N
XLogP4.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.30
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbut-1-en-2-yl)-2-prop-1-en-2-ylcyclopentene?
The IUPAC name of 1-(3-methylbut-1-en-2-yl)-2-prop-1-en-2-ylcyclopentene (CID 144672215) is 1-(3-methylbut-1-en-2-yl)-2-prop-1-en-2-ylcyclopentene.
What is the SMILES notation for 1-(3-methylbut-1-en-2-yl)-2-prop-1-en-2-ylcyclopentene?
The canonical SMILES for 1-(3-methylbut-1-en-2-yl)-2-prop-1-en-2-ylcyclopentene is C=C(C)C1=C(C(=C)C(C)C)CCC1.
What is the InChIKey of 1-(3-methylbut-1-en-2-yl)-2-prop-1-en-2-ylcyclopentene?
The InChIKey is WVBVCRVTLFQCHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20/c1-9(2)11(5)13-8-6-7-12(13)10(3)4/h9H,3,5-8H2,1-2,4H3.
What are the key properties of 1-(3-methylbut-1-en-2-yl)-2-prop-1-en-2-ylcyclopentene?
1-(3-methylbut-1-en-2-yl)-2-prop-1-en-2-ylcyclopentene has a molecular weight of 176.30 g/mol, XLogP of 4.26, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbut-1-en-2-yl)-2-prop-1-en-2-ylcyclopentene is sourced from PubChem (CID 144672215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).