1-(2-methylbut-3-en-2-yl)-2-[(Z)-prop-1-enyl]cyclopentene

C13H20 — CID 153346791

IUPAC1-(2-methylbut-3-en-2-yl)-2-[(Z)-prop-1-enyl]cyclopentene
SMILESC=CC(C)(C)C1=C(/C=C\C)CCC1
InChIInChI=1S/C13H20/c1-5-8-11-9-7-10-12(11)13(3,4)6-2/h5-6,8H,2,7,9-10H2,1,3-4H3/b8-5-
InChIKeyRMKZXHJTATZSBI-YVMONPNESA-N
MW176.30 g/mol
LogP4.26
Rot. Bonds3

About 1-(2-methylbut-3-en-2-yl)-2-[(Z)-prop-1-enyl]cyclopentene

1-(2-methylbut-3-en-2-yl)-2-[(Z)-prop-1-enyl]cyclopentene (PubChem CID 153346791) has the molecular formula C13H20 and a molecular weight of 176.30 g/mol. Its IUPAC name is 1-(2-methylbut-3-en-2-yl)-2-[(Z)-prop-1-enyl]cyclopentene.

Molecular Properties

Compound Name1-(2-methylbut-3-en-2-yl)-2-[(Z)-prop-1-enyl]cyclopentene
PubChem CID153346791
Molecular FormulaC13H20
Molecular Weight176.30 g/mol
Exact Mass176.16
IUPAC Name1-(2-methylbut-3-en-2-yl)-2-[(Z)-prop-1-enyl]cyclopentene
SMILESC=CC(C)(C)C1=C(/C=C\C)CCC1
InChIInChI=1S/C13H20/c1-5-8-11-9-7-10-12(11)13(3,4)6-2/h5-6,8H,2,7,9-10H2,1,3-4H3/b8-5-
InChIKeyRMKZXHJTATZSBI-YVMONPNESA-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

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylbut-3-en-2-yl)-2-[(Z)-prop-1-enyl]cyclopentene?
The IUPAC name of 1-(2-methylbut-3-en-2-yl)-2-[(Z)-prop-1-enyl]cyclopentene (CID 153346791) is 1-(2-methylbut-3-en-2-yl)-2-[(Z)-prop-1-enyl]cyclopentene.
What is the SMILES notation for 1-(2-methylbut-3-en-2-yl)-2-[(Z)-prop-1-enyl]cyclopentene?
The canonical SMILES for 1-(2-methylbut-3-en-2-yl)-2-[(Z)-prop-1-enyl]cyclopentene is C=CC(C)(C)C1=C(/C=C\C)CCC1.
What is the InChIKey of 1-(2-methylbut-3-en-2-yl)-2-[(Z)-prop-1-enyl]cyclopentene?
The InChIKey is RMKZXHJTATZSBI-YVMONPNESA-N. The full InChI is InChI=1S/C13H20/c1-5-8-11-9-7-10-12(11)13(3,4)6-2/h5-6,8H,2,7,9-10H2,1,3-4H3/b8-5-.
What are the key properties of 1-(2-methylbut-3-en-2-yl)-2-[(Z)-prop-1-enyl]cyclopentene?
1-(2-methylbut-3-en-2-yl)-2-[(Z)-prop-1-enyl]cyclopentene 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-(2-methylbut-3-en-2-yl)-2-[(Z)-prop-1-enyl]cyclopentene is sourced from PubChem (CID 153346791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).