6-ethyl-2,4-bis(2-methylpropyl)bicyclo[3.1.0]hexa-1(6),2,4-triene

C16H24 — CID 174930100

IUPAC6-ethyl-2,4-bis(2-methylpropyl)bicyclo[3.1.0]hexa-1(6),2,4-triene
SMILESCCc1c2c(CC(C)C)cc(CC(C)C)c1-2
InChIInChI=1S/C16H24/c1-6-14-15-12(7-10(2)3)9-13(16(14)15)8-11(4)5/h9-11H,6-8H2,1-5H3
InChIKeyGTDZRSMDIZRORM-UHFFFAOYSA-N
MW216.37 g/mol
LogP4.63
Rot. Bonds5

About 6-ethyl-2,4-bis(2-methylpropyl)bicyclo[3.1.0]hexa-1(6),2,4-triene

6-ethyl-2,4-bis(2-methylpropyl)bicyclo[3.1.0]hexa-1(6),2,4-triene (PubChem CID 174930100) has the molecular formula C16H24 and a molecular weight of 216.37 g/mol. Its IUPAC name is 6-ethyl-2,4-bis(2-methylpropyl)bicyclo[3.1.0]hexa-1(6),2,4-triene.

Molecular Properties

Compound Name6-ethyl-2,4-bis(2-methylpropyl)bicyclo[3.1.0]hexa-1(6),2,4-triene
PubChem CID174930100
Molecular FormulaC16H24
Molecular Weight216.37 g/mol
Exact Mass216.19
IUPAC Name6-ethyl-2,4-bis(2-methylpropyl)bicyclo[3.1.0]hexa-1(6),2,4-triene
SMILESCCc1c2c(CC(C)C)cc(CC(C)C)c1-2
InChIInChI=1S/C16H24/c1-6-14-15-12(7-10(2)3)9-13(16(14)15)8-11(4)5/h9-11H,6-8H2,1-5H3
InChIKeyGTDZRSMDIZRORM-UHFFFAOYSA-N
XLogP4.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.37
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2,4-bis(2-methylpropyl)bicyclo[3.1.0]hexa-1(6),2,4-triene?
The IUPAC name of 6-ethyl-2,4-bis(2-methylpropyl)bicyclo[3.1.0]hexa-1(6),2,4-triene (CID 174930100) is 6-ethyl-2,4-bis(2-methylpropyl)bicyclo[3.1.0]hexa-1(6),2,4-triene.
What is the SMILES notation for 6-ethyl-2,4-bis(2-methylpropyl)bicyclo[3.1.0]hexa-1(6),2,4-triene?
The canonical SMILES for 6-ethyl-2,4-bis(2-methylpropyl)bicyclo[3.1.0]hexa-1(6),2,4-triene is CCc1c2c(CC(C)C)cc(CC(C)C)c1-2.
What is the InChIKey of 6-ethyl-2,4-bis(2-methylpropyl)bicyclo[3.1.0]hexa-1(6),2,4-triene?
The InChIKey is GTDZRSMDIZRORM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24/c1-6-14-15-12(7-10(2)3)9-13(16(14)15)8-11(4)5/h9-11H,6-8H2,1-5H3.
What are the key properties of 6-ethyl-2,4-bis(2-methylpropyl)bicyclo[3.1.0]hexa-1(6),2,4-triene?
6-ethyl-2,4-bis(2-methylpropyl)bicyclo[3.1.0]hexa-1(6),2,4-triene has a molecular weight of 216.37 g/mol, XLogP of 4.63, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2,4-bis(2-methylpropyl)bicyclo[3.1.0]hexa-1(6),2,4-triene is sourced from PubChem (CID 174930100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).