1-but-3-en-2-yl-3-(1-ethoxyethoxy)-5-methylidenecyclopentene

C14H22O2 — CID 22908394

IUPAC1-but-3-en-2-yl-3-(1-ethoxyethoxy)-5-methylidenecyclopentene
SMILESC=CC(C)C1=CC(OC(C)OCC)CC1=C
InChIInChI=1S/C14H22O2/c1-6-10(3)14-9-13(8-11(14)4)16-12(5)15-7-2/h6,9-10,12-13H,1,4,7-8H2,2-3,5H3
InChIKeyRPFWOGBWXKYKAG-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.46
Rot. Bonds6

About 1-but-3-en-2-yl-3-(1-ethoxyethoxy)-5-methylidenecyclopentene

1-but-3-en-2-yl-3-(1-ethoxyethoxy)-5-methylidenecyclopentene (PubChem CID 22908394) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 1-but-3-en-2-yl-3-(1-ethoxyethoxy)-5-methylidenecyclopentene.

Molecular Properties

Compound Name1-but-3-en-2-yl-3-(1-ethoxyethoxy)-5-methylidenecyclopentene
PubChem CID22908394
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name1-but-3-en-2-yl-3-(1-ethoxyethoxy)-5-methylidenecyclopentene
SMILESC=CC(C)C1=CC(OC(C)OCC)CC1=C
InChIInChI=1S/C14H22O2/c1-6-10(3)14-9-13(8-11(14)4)16-12(5)15-7-2/h6,9-10,12-13H,1,4,7-8H2,2-3,5H3
InChIKeyRPFWOGBWXKYKAG-UHFFFAOYSA-N
XLogP3.46
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-but-3-en-2-yl-3-(1-ethoxyethoxy)-5-methylidenecyclopentene?
The IUPAC name of 1-but-3-en-2-yl-3-(1-ethoxyethoxy)-5-methylidenecyclopentene (CID 22908394) is 1-but-3-en-2-yl-3-(1-ethoxyethoxy)-5-methylidenecyclopentene.
What is the SMILES notation for 1-but-3-en-2-yl-3-(1-ethoxyethoxy)-5-methylidenecyclopentene?
The canonical SMILES for 1-but-3-en-2-yl-3-(1-ethoxyethoxy)-5-methylidenecyclopentene is C=CC(C)C1=CC(OC(C)OCC)CC1=C.
What is the InChIKey of 1-but-3-en-2-yl-3-(1-ethoxyethoxy)-5-methylidenecyclopentene?
The InChIKey is RPFWOGBWXKYKAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c1-6-10(3)14-9-13(8-11(14)4)16-12(5)15-7-2/h6,9-10,12-13H,1,4,7-8H2,2-3,5H3.
What are the key properties of 1-but-3-en-2-yl-3-(1-ethoxyethoxy)-5-methylidenecyclopentene?
1-but-3-en-2-yl-3-(1-ethoxyethoxy)-5-methylidenecyclopentene has a molecular weight of 222.33 g/mol, XLogP of 3.46, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-3-en-2-yl-3-(1-ethoxyethoxy)-5-methylidenecyclopentene is sourced from PubChem (CID 22908394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).