7-(cyclohepten-1-yl)-2,3,4,5-tetrahydrooxepine

C13H20O — CID 66665834

IUPAC7-(cyclohepten-1-yl)-2,3,4,5-tetrahydrooxepine
SMILESC1=C(C2=CCCCCO2)CCCCC1
InChIInChI=1S/C13H20O/c1-2-5-9-12(8-4-1)13-10-6-3-7-11-14-13/h8,10H,1-7,9,11H2
InChIKeyUHZXPFSCJFEFPS-UHFFFAOYSA-N
MW192.30 g/mol
LogP3.96
Rot. Bonds1

About 7-(cyclohepten-1-yl)-2,3,4,5-tetrahydrooxepine

7-(cyclohepten-1-yl)-2,3,4,5-tetrahydrooxepine (PubChem CID 66665834) has the molecular formula C13H20O and a molecular weight of 192.30 g/mol. Its IUPAC name is 7-(cyclohepten-1-yl)-2,3,4,5-tetrahydrooxepine.

Molecular Properties

Compound Name7-(cyclohepten-1-yl)-2,3,4,5-tetrahydrooxepine
PubChem CID66665834
Molecular FormulaC13H20O
Molecular Weight192.30 g/mol
Exact Mass192.15
IUPAC Name7-(cyclohepten-1-yl)-2,3,4,5-tetrahydrooxepine
SMILESC1=C(C2=CCCCCO2)CCCCC1
InChIInChI=1S/C13H20O/c1-2-5-9-12(8-4-1)13-10-6-3-7-11-14-13/h8,10H,1-7,9,11H2
InChIKeyUHZXPFSCJFEFPS-UHFFFAOYSA-N
XLogP3.96
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-(cyclohepten-1-yl)-2,3,4,5-tetrahydrooxepine?
The IUPAC name of 7-(cyclohepten-1-yl)-2,3,4,5-tetrahydrooxepine (CID 66665834) is 7-(cyclohepten-1-yl)-2,3,4,5-tetrahydrooxepine.
What is the SMILES notation for 7-(cyclohepten-1-yl)-2,3,4,5-tetrahydrooxepine?
The canonical SMILES for 7-(cyclohepten-1-yl)-2,3,4,5-tetrahydrooxepine is C1=C(C2=CCCCCO2)CCCCC1.
What is the InChIKey of 7-(cyclohepten-1-yl)-2,3,4,5-tetrahydrooxepine?
The InChIKey is UHZXPFSCJFEFPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O/c1-2-5-9-12(8-4-1)13-10-6-3-7-11-14-13/h8,10H,1-7,9,11H2.
What are the key properties of 7-(cyclohepten-1-yl)-2,3,4,5-tetrahydrooxepine?
7-(cyclohepten-1-yl)-2,3,4,5-tetrahydrooxepine has a molecular weight of 192.30 g/mol, XLogP of 3.96, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(cyclohepten-1-yl)-2,3,4,5-tetrahydrooxepine is sourced from PubChem (CID 66665834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).