9-ethylidene-4-methyltricyclo[6.2.1.02,7]undec-2(7)-ene

C14H20 — CID 54244186

IUPAC9-ethylidene-4-methyltricyclo[6.2.1.02,7]undec-2(7)-ene
SMILESCC=C1CC2CC1C1=C2CC(C)CC1
InChIInChI=1S/C14H20/c1-3-10-7-11-8-14(10)12-5-4-9(2)6-13(11)12/h3,9,11,14H,4-8H2,1-2H3
InChIKeyQSBVKZRVVFZMBD-UHFFFAOYSA-N
MW188.31 g/mol
LogP4.09
Rot. Bonds

About 9-ethylidene-4-methyltricyclo[6.2.1.02,7]undec-2(7)-ene

9-ethylidene-4-methyltricyclo[6.2.1.02,7]undec-2(7)-ene (PubChem CID 54244186) has the molecular formula C14H20 and a molecular weight of 188.31 g/mol. Its IUPAC name is 9-ethylidene-4-methyltricyclo[6.2.1.02,7]undec-2(7)-ene.

Molecular Properties

Compound Name9-ethylidene-4-methyltricyclo[6.2.1.02,7]undec-2(7)-ene
PubChem CID54244186
Molecular FormulaC14H20
Molecular Weight188.31 g/mol
Exact Mass188.16
IUPAC Name9-ethylidene-4-methyltricyclo[6.2.1.02,7]undec-2(7)-ene
SMILESCC=C1CC2CC1C1=C2CC(C)CC1
InChIInChI=1S/C14H20/c1-3-10-7-11-8-14(10)12-5-4-9(2)6-13(11)12/h3,9,11,14H,4-8H2,1-2H3
InChIKeyQSBVKZRVVFZMBD-UHFFFAOYSA-N
XLogP4.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 9-ethylidene-4-methyltricyclo[6.2.1.02,7]undec-2(7)-ene?
The IUPAC name of 9-ethylidene-4-methyltricyclo[6.2.1.02,7]undec-2(7)-ene (CID 54244186) is 9-ethylidene-4-methyltricyclo[6.2.1.02,7]undec-2(7)-ene.
What is the SMILES notation for 9-ethylidene-4-methyltricyclo[6.2.1.02,7]undec-2(7)-ene?
The canonical SMILES for 9-ethylidene-4-methyltricyclo[6.2.1.02,7]undec-2(7)-ene is CC=C1CC2CC1C1=C2CC(C)CC1.
What is the InChIKey of 9-ethylidene-4-methyltricyclo[6.2.1.02,7]undec-2(7)-ene?
The InChIKey is QSBVKZRVVFZMBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20/c1-3-10-7-11-8-14(10)12-5-4-9(2)6-13(11)12/h3,9,11,14H,4-8H2,1-2H3.
What are the key properties of 9-ethylidene-4-methyltricyclo[6.2.1.02,7]undec-2(7)-ene?
9-ethylidene-4-methyltricyclo[6.2.1.02,7]undec-2(7)-ene has a molecular weight of 188.31 g/mol, XLogP of 4.09, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethylidene-4-methyltricyclo[6.2.1.02,7]undec-2(7)-ene is sourced from PubChem (CID 54244186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).