2-propoxybicyclo[2.2.1]hept-1-ene

C10H16O — CID 68891660

IUPAC2-propoxybicyclo[2.2.1]hept-1-ene
SMILESCCCOC1=C2CCC(C2)C1
InChIInChI=1S/C10H16O/c1-2-5-11-10-7-8-3-4-9(10)6-8/h8H,2-7H2,1H3
InChIKeyPZZADFSGNDWQDN-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.87
Rot. Bonds3

About 2-propoxybicyclo[2.2.1]hept-1-ene

2-propoxybicyclo[2.2.1]hept-1-ene (PubChem CID 68891660) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is 2-propoxybicyclo[2.2.1]hept-1-ene.

Molecular Properties

Compound Name2-propoxybicyclo[2.2.1]hept-1-ene
PubChem CID68891660
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name2-propoxybicyclo[2.2.1]hept-1-ene
SMILESCCCOC1=C2CCC(C2)C1
InChIInChI=1S/C10H16O/c1-2-5-11-10-7-8-3-4-9(10)6-8/h8H,2-7H2,1H3
InChIKeyPZZADFSGNDWQDN-UHFFFAOYSA-N
XLogP2.87
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-propoxybicyclo[2.2.1]hept-1-ene?
The IUPAC name of 2-propoxybicyclo[2.2.1]hept-1-ene (CID 68891660) is 2-propoxybicyclo[2.2.1]hept-1-ene.
What is the SMILES notation for 2-propoxybicyclo[2.2.1]hept-1-ene?
The canonical SMILES for 2-propoxybicyclo[2.2.1]hept-1-ene is CCCOC1=C2CCC(C2)C1.
What is the InChIKey of 2-propoxybicyclo[2.2.1]hept-1-ene?
The InChIKey is PZZADFSGNDWQDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O/c1-2-5-11-10-7-8-3-4-9(10)6-8/h8H,2-7H2,1H3.
What are the key properties of 2-propoxybicyclo[2.2.1]hept-1-ene?
2-propoxybicyclo[2.2.1]hept-1-ene has a molecular weight of 152.24 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propoxybicyclo[2.2.1]hept-1-ene is sourced from PubChem (CID 68891660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).