1,4,7-trimethyltricyclo[3.3.1.02,7]nonane

C12H20 — CID 123705206

IUPAC1,4,7-trimethyltricyclo[3.3.1.02,7]nonane
SMILESCC1CC2C3(C)CC1CC2(C)C3
InChIInChI=1S/C12H20/c1-8-4-10-11(2)5-9(8)6-12(10,3)7-11/h8-10H,4-7H2,1-3H3
InChIKeySACWTRMQJRPMBQ-UHFFFAOYSA-N
MW164.29 g/mol
LogP3.47
Rot. Bonds

About 1,4,7-trimethyltricyclo[3.3.1.02,7]nonane

1,4,7-trimethyltricyclo[3.3.1.02,7]nonane (PubChem CID 123705206) has the molecular formula C12H20 and a molecular weight of 164.29 g/mol. Its IUPAC name is 1,4,7-trimethyltricyclo[3.3.1.02,7]nonane.

Molecular Properties

Compound Name1,4,7-trimethyltricyclo[3.3.1.02,7]nonane
PubChem CID123705206
Molecular FormulaC12H20
Molecular Weight164.29 g/mol
Exact Mass164.16
IUPAC Name1,4,7-trimethyltricyclo[3.3.1.02,7]nonane
SMILESCC1CC2C3(C)CC1CC2(C)C3
InChIInChI=1S/C12H20/c1-8-4-10-11(2)5-9(8)6-12(10,3)7-11/h8-10H,4-7H2,1-3H3
InChIKeySACWTRMQJRPMBQ-UHFFFAOYSA-N
XLogP3.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.29
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,4,7-trimethyltricyclo[3.3.1.02,7]nonane?
The IUPAC name of 1,4,7-trimethyltricyclo[3.3.1.02,7]nonane (CID 123705206) is 1,4,7-trimethyltricyclo[3.3.1.02,7]nonane.
What is the SMILES notation for 1,4,7-trimethyltricyclo[3.3.1.02,7]nonane?
The canonical SMILES for 1,4,7-trimethyltricyclo[3.3.1.02,7]nonane is CC1CC2C3(C)CC1CC2(C)C3.
What is the InChIKey of 1,4,7-trimethyltricyclo[3.3.1.02,7]nonane?
The InChIKey is SACWTRMQJRPMBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20/c1-8-4-10-11(2)5-9(8)6-12(10,3)7-11/h8-10H,4-7H2,1-3H3.
What are the key properties of 1,4,7-trimethyltricyclo[3.3.1.02,7]nonane?
1,4,7-trimethyltricyclo[3.3.1.02,7]nonane has a molecular weight of 164.29 g/mol, XLogP of 3.47, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,7-trimethyltricyclo[3.3.1.02,7]nonane is sourced from PubChem (CID 123705206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).