2-[7-[(1S)-cyclopent-2-en-1-yl]hept-4-enoxy]oxane

C17H28O2 — CID 54426006

IUPAC2-[7-[(1S)-cyclopent-2-en-1-yl]hept-4-enoxy]oxane
SMILESC(=CCC[C@H]1C=CCC1)CCCOC1CCCCO1
InChIInChI=1S/C17H28O2/c1(2-4-10-16-11-5-6-12-16)3-8-14-18-17-13-7-9-15-19-17/h1-2,5,11,16-17H,3-4,6-10,12-15H2/t16-,17?/m0/s1
InChIKeyWECZKZPJOMJBGI-BHWOMJMDSA-N
MW264.41 g/mol
LogP4.61
Rot. Bonds8

About 2-[7-[(1S)-cyclopent-2-en-1-yl]hept-4-enoxy]oxane

2-[7-[(1S)-cyclopent-2-en-1-yl]hept-4-enoxy]oxane (PubChem CID 54426006) has the molecular formula C17H28O2 and a molecular weight of 264.41 g/mol. Its IUPAC name is 2-[7-[(1S)-cyclopent-2-en-1-yl]hept-4-enoxy]oxane.

Molecular Properties

Compound Name2-[7-[(1S)-cyclopent-2-en-1-yl]hept-4-enoxy]oxane
PubChem CID54426006
Molecular FormulaC17H28O2
Molecular Weight264.41 g/mol
Exact Mass264.21
IUPAC Name2-[7-[(1S)-cyclopent-2-en-1-yl]hept-4-enoxy]oxane
SMILESC(=CCC[C@H]1C=CCC1)CCCOC1CCCCO1
InChIInChI=1S/C17H28O2/c1(2-4-10-16-11-5-6-12-16)3-8-14-18-17-13-7-9-15-19-17/h1-2,5,11,16-17H,3-4,6-10,12-15H2/t16-,17?/m0/s1
InChIKeyWECZKZPJOMJBGI-BHWOMJMDSA-N
XLogP4.61
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[7-[(1S)-cyclopent-2-en-1-yl]hept-4-enoxy]oxane?
The IUPAC name of 2-[7-[(1S)-cyclopent-2-en-1-yl]hept-4-enoxy]oxane (CID 54426006) is 2-[7-[(1S)-cyclopent-2-en-1-yl]hept-4-enoxy]oxane.
What is the SMILES notation for 2-[7-[(1S)-cyclopent-2-en-1-yl]hept-4-enoxy]oxane?
The canonical SMILES for 2-[7-[(1S)-cyclopent-2-en-1-yl]hept-4-enoxy]oxane is C(=CCC[C@H]1C=CCC1)CCCOC1CCCCO1.
What is the InChIKey of 2-[7-[(1S)-cyclopent-2-en-1-yl]hept-4-enoxy]oxane?
The InChIKey is WECZKZPJOMJBGI-BHWOMJMDSA-N. The full InChI is InChI=1S/C17H28O2/c1(2-4-10-16-11-5-6-12-16)3-8-14-18-17-13-7-9-15-19-17/h1-2,5,11,16-17H,3-4,6-10,12-15H2/t16-,17?/m0/s1.
What are the key properties of 2-[7-[(1S)-cyclopent-2-en-1-yl]hept-4-enoxy]oxane?
2-[7-[(1S)-cyclopent-2-en-1-yl]hept-4-enoxy]oxane has a molecular weight of 264.41 g/mol, XLogP of 4.61, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-[(1S)-cyclopent-2-en-1-yl]hept-4-enoxy]oxane is sourced from PubChem (CID 54426006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).