4,4-di(cyclopenten-1-yloxy)but-1-en-1-ol

C14H20O3 — CID 66645575

IUPAC4,4-di(cyclopenten-1-yloxy)but-1-en-1-ol
SMILESOC=CCC(OC1=CCCC1)OC1=CCCC1
InChIInChI=1S/C14H20O3/c15-11-5-10-14(16-12-6-1-2-7-12)17-13-8-3-4-9-13/h5-6,8,11,14-15H,1-4,7,9-10H2
InChIKeyUALQESYNBOBQMQ-UHFFFAOYSA-N
MW236.31 g/mol
LogP3.94
Rot. Bonds6

About 4,4-di(cyclopenten-1-yloxy)but-1-en-1-ol

4,4-di(cyclopenten-1-yloxy)but-1-en-1-ol (PubChem CID 66645575) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is 4,4-di(cyclopenten-1-yloxy)but-1-en-1-ol.

Molecular Properties

Compound Name4,4-di(cyclopenten-1-yloxy)but-1-en-1-ol
PubChem CID66645575
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name4,4-di(cyclopenten-1-yloxy)but-1-en-1-ol
SMILESOC=CCC(OC1=CCCC1)OC1=CCCC1
InChIInChI=1S/C14H20O3/c15-11-5-10-14(16-12-6-1-2-7-12)17-13-8-3-4-9-13/h5-6,8,11,14-15H,1-4,7,9-10H2
InChIKeyUALQESYNBOBQMQ-UHFFFAOYSA-N
XLogP3.94
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,4-di(cyclopenten-1-yloxy)but-1-en-1-ol?
The IUPAC name of 4,4-di(cyclopenten-1-yloxy)but-1-en-1-ol (CID 66645575) is 4,4-di(cyclopenten-1-yloxy)but-1-en-1-ol.
What is the SMILES notation for 4,4-di(cyclopenten-1-yloxy)but-1-en-1-ol?
The canonical SMILES for 4,4-di(cyclopenten-1-yloxy)but-1-en-1-ol is OC=CCC(OC1=CCCC1)OC1=CCCC1.
What is the InChIKey of 4,4-di(cyclopenten-1-yloxy)but-1-en-1-ol?
The InChIKey is UALQESYNBOBQMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c15-11-5-10-14(16-12-6-1-2-7-12)17-13-8-3-4-9-13/h5-6,8,11,14-15H,1-4,7,9-10H2.
What are the key properties of 4,4-di(cyclopenten-1-yloxy)but-1-en-1-ol?
4,4-di(cyclopenten-1-yloxy)but-1-en-1-ol has a molecular weight of 236.31 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-di(cyclopenten-1-yloxy)but-1-en-1-ol is sourced from PubChem (CID 66645575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).