7-but-3-enyl-7-prop-2-enoxybicyclo[2.2.1]hept-2-ene

C14H20O — CID 72956401

IUPAC7-but-3-enyl-7-prop-2-enoxybicyclo[2.2.1]hept-2-ene
SMILESC=CCCC1(OCC=C)C2C=CC1CC2
InChIInChI=1S/C14H20O/c1-3-5-10-14(15-11-4-2)12-6-7-13(14)9-8-12/h3-4,6-7,12-13H,1-2,5,8-11H2
InChIKeyQXSVNPHPXZMWMT-UHFFFAOYSA-N
MW204.31 g/mol
LogP3.49
Rot. Bonds6

About 7-but-3-enyl-7-prop-2-enoxybicyclo[2.2.1]hept-2-ene

7-but-3-enyl-7-prop-2-enoxybicyclo[2.2.1]hept-2-ene (PubChem CID 72956401) has the molecular formula C14H20O and a molecular weight of 204.31 g/mol. Its IUPAC name is 7-but-3-enyl-7-prop-2-enoxybicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Name7-but-3-enyl-7-prop-2-enoxybicyclo[2.2.1]hept-2-ene
PubChem CID72956401
Molecular FormulaC14H20O
Molecular Weight204.31 g/mol
Exact Mass204.15
IUPAC Name7-but-3-enyl-7-prop-2-enoxybicyclo[2.2.1]hept-2-ene
SMILESC=CCCC1(OCC=C)C2C=CC1CC2
InChIInChI=1S/C14H20O/c1-3-5-10-14(15-11-4-2)12-6-7-13(14)9-8-12/h3-4,6-7,12-13H,1-2,5,8-11H2
InChIKeyQXSVNPHPXZMWMT-UHFFFAOYSA-N
XLogP3.49
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 7-but-3-enyl-7-prop-2-enoxybicyclo[2.2.1]hept-2-ene?
The IUPAC name of 7-but-3-enyl-7-prop-2-enoxybicyclo[2.2.1]hept-2-ene (CID 72956401) is 7-but-3-enyl-7-prop-2-enoxybicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for 7-but-3-enyl-7-prop-2-enoxybicyclo[2.2.1]hept-2-ene?
The canonical SMILES for 7-but-3-enyl-7-prop-2-enoxybicyclo[2.2.1]hept-2-ene is C=CCCC1(OCC=C)C2C=CC1CC2.
What is the InChIKey of 7-but-3-enyl-7-prop-2-enoxybicyclo[2.2.1]hept-2-ene?
The InChIKey is QXSVNPHPXZMWMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O/c1-3-5-10-14(15-11-4-2)12-6-7-13(14)9-8-12/h3-4,6-7,12-13H,1-2,5,8-11H2.
What are the key properties of 7-but-3-enyl-7-prop-2-enoxybicyclo[2.2.1]hept-2-ene?
7-but-3-enyl-7-prop-2-enoxybicyclo[2.2.1]hept-2-ene has a molecular weight of 204.31 g/mol, XLogP of 3.49, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-but-3-enyl-7-prop-2-enoxybicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 72956401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).