1-butan-2-yl-8-methyltricyclo[4.3.0.03,9]non-8-ene

C14H22 — CID 123536628

IUPAC1-butan-2-yl-8-methyltricyclo[4.3.0.03,9]non-8-ene
SMILESCCC(C)C12CC3CCC1CC(C)=C32
InChIInChI=1S/C14H22/c1-4-10(3)14-8-11-5-6-12(14)7-9(2)13(11)14/h10-12H,4-8H2,1-3H3
InChIKeyQKWGRRVLPIGHQL-UHFFFAOYSA-N
MW190.33 g/mol
LogP4.17
Rot. Bonds2

About 1-butan-2-yl-8-methyltricyclo[4.3.0.03,9]non-8-ene

1-butan-2-yl-8-methyltricyclo[4.3.0.03,9]non-8-ene (PubChem CID 123536628) has the molecular formula C14H22 and a molecular weight of 190.33 g/mol. Its IUPAC name is 1-butan-2-yl-8-methyltricyclo[4.3.0.03,9]non-8-ene.

Molecular Properties

Compound Name1-butan-2-yl-8-methyltricyclo[4.3.0.03,9]non-8-ene
PubChem CID123536628
Molecular FormulaC14H22
Molecular Weight190.33 g/mol
Exact Mass190.17
IUPAC Name1-butan-2-yl-8-methyltricyclo[4.3.0.03,9]non-8-ene
SMILESCCC(C)C12CC3CCC1CC(C)=C32
InChIInChI=1S/C14H22/c1-4-10(3)14-8-11-5-6-12(14)7-9(2)13(11)14/h10-12H,4-8H2,1-3H3
InChIKeyQKWGRRVLPIGHQL-UHFFFAOYSA-N
XLogP4.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.33
LogP ≤ 54.17
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 1-butan-2-yl-8-methyltricyclo[4.3.0.03,9]non-8-ene?
The IUPAC name of 1-butan-2-yl-8-methyltricyclo[4.3.0.03,9]non-8-ene (CID 123536628) is 1-butan-2-yl-8-methyltricyclo[4.3.0.03,9]non-8-ene.
What is the SMILES notation for 1-butan-2-yl-8-methyltricyclo[4.3.0.03,9]non-8-ene?
The canonical SMILES for 1-butan-2-yl-8-methyltricyclo[4.3.0.03,9]non-8-ene is CCC(C)C12CC3CCC1CC(C)=C32.
What is the InChIKey of 1-butan-2-yl-8-methyltricyclo[4.3.0.03,9]non-8-ene?
The InChIKey is QKWGRRVLPIGHQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22/c1-4-10(3)14-8-11-5-6-12(14)7-9(2)13(11)14/h10-12H,4-8H2,1-3H3.
What are the key properties of 1-butan-2-yl-8-methyltricyclo[4.3.0.03,9]non-8-ene?
1-butan-2-yl-8-methyltricyclo[4.3.0.03,9]non-8-ene has a molecular weight of 190.33 g/mol, XLogP of 4.17, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-8-methyltricyclo[4.3.0.03,9]non-8-ene is sourced from PubChem (CID 123536628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).