2-(cyclopenta-2,4-dien-1-ylmethyl)oxolane

C10H14O — CID 12977114

IUPAC2-(cyclopenta-2,4-dien-1-ylmethyl)oxolane
SMILESC1=CC(CC2CCCO2)C=C1
InChIInChI=1S/C10H14O/c1-2-5-9(4-1)8-10-6-3-7-11-10/h1-2,4-5,9-10H,3,6-8H2
InChIKeyYMRYKQMRXTXGAB-UHFFFAOYSA-N
MW150.22 g/mol
LogP2.30
Rot. Bonds2

About 2-(cyclopenta-2,4-dien-1-ylmethyl)oxolane

2-(cyclopenta-2,4-dien-1-ylmethyl)oxolane (PubChem CID 12977114) has the molecular formula C10H14O and a molecular weight of 150.22 g/mol. Its IUPAC name is 2-(cyclopenta-2,4-dien-1-ylmethyl)oxolane.

Molecular Properties

Compound Name2-(cyclopenta-2,4-dien-1-ylmethyl)oxolane
PubChem CID12977114
Molecular FormulaC10H14O
Molecular Weight150.22 g/mol
Exact Mass150.10
IUPAC Name2-(cyclopenta-2,4-dien-1-ylmethyl)oxolane
SMILESC1=CC(CC2CCCO2)C=C1
InChIInChI=1S/C10H14O/c1-2-5-9(4-1)8-10-6-3-7-11-10/h1-2,4-5,9-10H,3,6-8H2
InChIKeyYMRYKQMRXTXGAB-UHFFFAOYSA-N
XLogP2.30
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopenta-2,4-dien-1-ylmethyl)oxolane?
The IUPAC name of 2-(cyclopenta-2,4-dien-1-ylmethyl)oxolane (CID 12977114) is 2-(cyclopenta-2,4-dien-1-ylmethyl)oxolane.
What is the SMILES notation for 2-(cyclopenta-2,4-dien-1-ylmethyl)oxolane?
The canonical SMILES for 2-(cyclopenta-2,4-dien-1-ylmethyl)oxolane is C1=CC(CC2CCCO2)C=C1.
What is the InChIKey of 2-(cyclopenta-2,4-dien-1-ylmethyl)oxolane?
The InChIKey is YMRYKQMRXTXGAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O/c1-2-5-9(4-1)8-10-6-3-7-11-10/h1-2,4-5,9-10H,3,6-8H2.
What are the key properties of 2-(cyclopenta-2,4-dien-1-ylmethyl)oxolane?
2-(cyclopenta-2,4-dien-1-ylmethyl)oxolane has a molecular weight of 150.22 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopenta-2,4-dien-1-ylmethyl)oxolane is sourced from PubChem (CID 12977114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).