6-chloro-3,3,7-trimethyl-8-methylidenetricyclo[5.4.0.02,9]undecane

C15H23Cl — CID 608958

IUPAC6-chloro-3,3,7-trimethyl-8-methylidenetricyclo[5.4.0.02,9]undecane
SMILESC=C1C2CCC3C2C(C)(C)CCC(Cl)C13C
InChIInChI=1S/C15H23Cl/c1-9-10-5-6-11-13(10)14(2,3)8-7-12(16)15(9,11)4/h10-13H,1,5-8H2,2-4H3
InChIKeyUTJMGKBMIIUWTR-UHFFFAOYSA-N
MW238.80 g/mol
LogP4.63
Rot. Bonds

About 6-chloro-3,3,7-trimethyl-8-methylidenetricyclo[5.4.0.02,9]undecane

6-chloro-3,3,7-trimethyl-8-methylidenetricyclo[5.4.0.02,9]undecane (PubChem CID 608958) has the molecular formula C15H23Cl and a molecular weight of 238.80 g/mol. Its IUPAC name is 6-chloro-3,3,7-trimethyl-8-methylidenetricyclo[5.4.0.02,9]undecane.

Molecular Properties

Compound Name6-chloro-3,3,7-trimethyl-8-methylidenetricyclo[5.4.0.02,9]undecane
PubChem CID608958
Molecular FormulaC15H23Cl
Molecular Weight238.80 g/mol
Exact Mass238.15
IUPAC Name6-chloro-3,3,7-trimethyl-8-methylidenetricyclo[5.4.0.02,9]undecane
SMILESC=C1C2CCC3C2C(C)(C)CCC(Cl)C13C
InChIInChI=1S/C15H23Cl/c1-9-10-5-6-11-13(10)14(2,3)8-7-12(16)15(9,11)4/h10-13H,1,5-8H2,2-4H3
InChIKeyUTJMGKBMIIUWTR-UHFFFAOYSA-N
XLogP4.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.80
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3,3,7-trimethyl-8-methylidenetricyclo[5.4.0.02,9]undecane?
The IUPAC name of 6-chloro-3,3,7-trimethyl-8-methylidenetricyclo[5.4.0.02,9]undecane (CID 608958) is 6-chloro-3,3,7-trimethyl-8-methylidenetricyclo[5.4.0.02,9]undecane.
What is the SMILES notation for 6-chloro-3,3,7-trimethyl-8-methylidenetricyclo[5.4.0.02,9]undecane?
The canonical SMILES for 6-chloro-3,3,7-trimethyl-8-methylidenetricyclo[5.4.0.02,9]undecane is C=C1C2CCC3C2C(C)(C)CCC(Cl)C13C.
What is the InChIKey of 6-chloro-3,3,7-trimethyl-8-methylidenetricyclo[5.4.0.02,9]undecane?
The InChIKey is UTJMGKBMIIUWTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23Cl/c1-9-10-5-6-11-13(10)14(2,3)8-7-12(16)15(9,11)4/h10-13H,1,5-8H2,2-4H3.
What are the key properties of 6-chloro-3,3,7-trimethyl-8-methylidenetricyclo[5.4.0.02,9]undecane?
6-chloro-3,3,7-trimethyl-8-methylidenetricyclo[5.4.0.02,9]undecane has a molecular weight of 238.80 g/mol, XLogP of 4.63, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3,3,7-trimethyl-8-methylidenetricyclo[5.4.0.02,9]undecane is sourced from PubChem (CID 608958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).