2-methyltetracyclo[6.3.0.01,3.03,7]undecane

C12H18 — CID 59972678

IUPAC2-methyltetracyclo[6.3.0.01,3.03,7]undecane
SMILESCC1C23CCCC2C2CCCC213
InChIInChI=1S/C12H18/c1-8-11-6-2-4-9(11)10-5-3-7-12(8,10)11/h8-10H,2-7H2,1H3
InChIKeyGCRWEOXPHGFDAH-UHFFFAOYSA-N
MW162.28 g/mol
LogP3.22
Rot. Bonds

About 2-methyltetracyclo[6.3.0.01,3.03,7]undecane

2-methyltetracyclo[6.3.0.01,3.03,7]undecane (PubChem CID 59972678) has the molecular formula C12H18 and a molecular weight of 162.28 g/mol. Its IUPAC name is 2-methyltetracyclo[6.3.0.01,3.03,7]undecane.

Molecular Properties

Compound Name2-methyltetracyclo[6.3.0.01,3.03,7]undecane
PubChem CID59972678
Molecular FormulaC12H18
Molecular Weight162.28 g/mol
Exact Mass162.14
IUPAC Name2-methyltetracyclo[6.3.0.01,3.03,7]undecane
SMILESCC1C23CCCC2C2CCCC213
InChIInChI=1S/C12H18/c1-8-11-6-2-4-9(11)10-5-3-7-12(8,10)11/h8-10H,2-7H2,1H3
InChIKeyGCRWEOXPHGFDAH-UHFFFAOYSA-N
XLogP3.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.28
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-methyltetracyclo[6.3.0.01,3.03,7]undecane?
The IUPAC name of 2-methyltetracyclo[6.3.0.01,3.03,7]undecane (CID 59972678) is 2-methyltetracyclo[6.3.0.01,3.03,7]undecane.
What is the SMILES notation for 2-methyltetracyclo[6.3.0.01,3.03,7]undecane?
The canonical SMILES for 2-methyltetracyclo[6.3.0.01,3.03,7]undecane is CC1C23CCCC2C2CCCC213.
What is the InChIKey of 2-methyltetracyclo[6.3.0.01,3.03,7]undecane?
The InChIKey is GCRWEOXPHGFDAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18/c1-8-11-6-2-4-9(11)10-5-3-7-12(8,10)11/h8-10H,2-7H2,1H3.
What are the key properties of 2-methyltetracyclo[6.3.0.01,3.03,7]undecane?
2-methyltetracyclo[6.3.0.01,3.03,7]undecane has a molecular weight of 162.28 g/mol, XLogP of 3.22, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyltetracyclo[6.3.0.01,3.03,7]undecane is sourced from PubChem (CID 59972678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).