5,5-bis(1-butoxyethyl)cyclopenta-1,3-diene

C17H30O2 — CID 22140465

IUPAC5,5-bis(1-butoxyethyl)cyclopenta-1,3-diene
SMILESCCCCOC(C)C1(C(C)OCCCC)C=CC=C1
InChIInChI=1S/C17H30O2/c1-5-7-13-18-15(3)17(11-9-10-12-17)16(4)19-14-8-6-2/h9-12,15-16H,5-8,13-14H2,1-4H3
InChIKeyZXABOXSKCIQAJG-UHFFFAOYSA-N
MW266.42 g/mol
LogP4.51
Rot. Bonds10

About 5,5-bis(1-butoxyethyl)cyclopenta-1,3-diene

5,5-bis(1-butoxyethyl)cyclopenta-1,3-diene (PubChem CID 22140465) has the molecular formula C17H30O2 and a molecular weight of 266.42 g/mol. Its IUPAC name is 5,5-bis(1-butoxyethyl)cyclopenta-1,3-diene.

Molecular Properties

Compound Name5,5-bis(1-butoxyethyl)cyclopenta-1,3-diene
PubChem CID22140465
Molecular FormulaC17H30O2
Molecular Weight266.42 g/mol
Exact Mass266.22
IUPAC Name5,5-bis(1-butoxyethyl)cyclopenta-1,3-diene
SMILESCCCCOC(C)C1(C(C)OCCCC)C=CC=C1
InChIInChI=1S/C17H30O2/c1-5-7-13-18-15(3)17(11-9-10-12-17)16(4)19-14-8-6-2/h9-12,15-16H,5-8,13-14H2,1-4H3
InChIKeyZXABOXSKCIQAJG-UHFFFAOYSA-N
XLogP4.51
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.42
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,5-bis(1-butoxyethyl)cyclopenta-1,3-diene?
The IUPAC name of 5,5-bis(1-butoxyethyl)cyclopenta-1,3-diene (CID 22140465) is 5,5-bis(1-butoxyethyl)cyclopenta-1,3-diene.
What is the SMILES notation for 5,5-bis(1-butoxyethyl)cyclopenta-1,3-diene?
The canonical SMILES for 5,5-bis(1-butoxyethyl)cyclopenta-1,3-diene is CCCCOC(C)C1(C(C)OCCCC)C=CC=C1.
What is the InChIKey of 5,5-bis(1-butoxyethyl)cyclopenta-1,3-diene?
The InChIKey is ZXABOXSKCIQAJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O2/c1-5-7-13-18-15(3)17(11-9-10-12-17)16(4)19-14-8-6-2/h9-12,15-16H,5-8,13-14H2,1-4H3.
What are the key properties of 5,5-bis(1-butoxyethyl)cyclopenta-1,3-diene?
5,5-bis(1-butoxyethyl)cyclopenta-1,3-diene has a molecular weight of 266.42 g/mol, XLogP of 4.51, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-bis(1-butoxyethyl)cyclopenta-1,3-diene is sourced from PubChem (CID 22140465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).