2-(2-cyclopenta-1,4-dien-1-yl-6-methylhept-5-enoxy)oxane

C18H28O2 — CID 135068666

IUPAC2-(2-cyclopenta-1,4-dien-1-yl-6-methylhept-5-enoxy)oxane
SMILESCC(C)=CCCC(COC1CCCCO1)C1=CCC=C1
InChIInChI=1S/C18H28O2/c1-15(2)8-7-11-17(16-9-3-4-10-16)14-20-18-12-5-6-13-19-18/h3,8-10,17-18H,4-7,11-14H2,1-2H3
InChIKeyVXTMXIUBOGBTJH-UHFFFAOYSA-N
MW276.42 g/mol
LogP4.78
Rot. Bonds7

About 2-(2-cyclopenta-1,4-dien-1-yl-6-methylhept-5-enoxy)oxane

2-(2-cyclopenta-1,4-dien-1-yl-6-methylhept-5-enoxy)oxane (PubChem CID 135068666) has the molecular formula C18H28O2 and a molecular weight of 276.42 g/mol. Its IUPAC name is 2-(2-cyclopenta-1,4-dien-1-yl-6-methylhept-5-enoxy)oxane.

Molecular Properties

Compound Name2-(2-cyclopenta-1,4-dien-1-yl-6-methylhept-5-enoxy)oxane
PubChem CID135068666
Molecular FormulaC18H28O2
Molecular Weight276.42 g/mol
Exact Mass276.21
IUPAC Name2-(2-cyclopenta-1,4-dien-1-yl-6-methylhept-5-enoxy)oxane
SMILESCC(C)=CCCC(COC1CCCCO1)C1=CCC=C1
InChIInChI=1S/C18H28O2/c1-15(2)8-7-11-17(16-9-3-4-10-16)14-20-18-12-5-6-13-19-18/h3,8-10,17-18H,4-7,11-14H2,1-2H3
InChIKeyVXTMXIUBOGBTJH-UHFFFAOYSA-N
XLogP4.78
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopenta-1,4-dien-1-yl-6-methylhept-5-enoxy)oxane?
The IUPAC name of 2-(2-cyclopenta-1,4-dien-1-yl-6-methylhept-5-enoxy)oxane (CID 135068666) is 2-(2-cyclopenta-1,4-dien-1-yl-6-methylhept-5-enoxy)oxane.
What is the SMILES notation for 2-(2-cyclopenta-1,4-dien-1-yl-6-methylhept-5-enoxy)oxane?
The canonical SMILES for 2-(2-cyclopenta-1,4-dien-1-yl-6-methylhept-5-enoxy)oxane is CC(C)=CCCC(COC1CCCCO1)C1=CCC=C1.
What is the InChIKey of 2-(2-cyclopenta-1,4-dien-1-yl-6-methylhept-5-enoxy)oxane?
The InChIKey is VXTMXIUBOGBTJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O2/c1-15(2)8-7-11-17(16-9-3-4-10-16)14-20-18-12-5-6-13-19-18/h3,8-10,17-18H,4-7,11-14H2,1-2H3.
What are the key properties of 2-(2-cyclopenta-1,4-dien-1-yl-6-methylhept-5-enoxy)oxane?
2-(2-cyclopenta-1,4-dien-1-yl-6-methylhept-5-enoxy)oxane has a molecular weight of 276.42 g/mol, XLogP of 4.78, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopenta-1,4-dien-1-yl-6-methylhept-5-enoxy)oxane is sourced from PubChem (CID 135068666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).