1,4,4-trimethyltricyclo[5.1.0.03,5]octane

C11H18 — CID 14568303

IUPAC1,4,4-trimethyltricyclo[5.1.0.03,5]octane
SMILESCC12CC1CC1C(C2)C1(C)C
InChIInChI=1S/C11H18/c1-10(2)8-4-7-5-11(7,3)6-9(8)10/h7-9H,4-6H2,1-3H3
InChIKeyBRUWCCBJUSWASR-UHFFFAOYSA-N
MW150.26 g/mol
LogP3.08
Rot. Bonds

About 1,4,4-trimethyltricyclo[5.1.0.03,5]octane

1,4,4-trimethyltricyclo[5.1.0.03,5]octane (PubChem CID 14568303) has the molecular formula C11H18 and a molecular weight of 150.26 g/mol. Its IUPAC name is 1,4,4-trimethyltricyclo[5.1.0.03,5]octane.

Molecular Properties

Compound Name1,4,4-trimethyltricyclo[5.1.0.03,5]octane
PubChem CID14568303
Molecular FormulaC11H18
Molecular Weight150.26 g/mol
Exact Mass150.14
IUPAC Name1,4,4-trimethyltricyclo[5.1.0.03,5]octane
SMILESCC12CC1CC1C(C2)C1(C)C
InChIInChI=1S/C11H18/c1-10(2)8-4-7-5-11(7,3)6-9(8)10/h7-9H,4-6H2,1-3H3
InChIKeyBRUWCCBJUSWASR-UHFFFAOYSA-N
XLogP3.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.26
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,4,4-trimethyltricyclo[5.1.0.03,5]octane?
The IUPAC name of 1,4,4-trimethyltricyclo[5.1.0.03,5]octane (CID 14568303) is 1,4,4-trimethyltricyclo[5.1.0.03,5]octane.
What is the SMILES notation for 1,4,4-trimethyltricyclo[5.1.0.03,5]octane?
The canonical SMILES for 1,4,4-trimethyltricyclo[5.1.0.03,5]octane is CC12CC1CC1C(C2)C1(C)C.
What is the InChIKey of 1,4,4-trimethyltricyclo[5.1.0.03,5]octane?
The InChIKey is BRUWCCBJUSWASR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18/c1-10(2)8-4-7-5-11(7,3)6-9(8)10/h7-9H,4-6H2,1-3H3.
What are the key properties of 1,4,4-trimethyltricyclo[5.1.0.03,5]octane?
1,4,4-trimethyltricyclo[5.1.0.03,5]octane has a molecular weight of 150.26 g/mol, XLogP of 3.08, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,4-trimethyltricyclo[5.1.0.03,5]octane is sourced from PubChem (CID 14568303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).