1-methyltetracyclo[5.3.1.03,9.05,9]undecane

C12H18 — CID 23551663

IUPAC1-methyltetracyclo[5.3.1.03,9.05,9]undecane
SMILESCC12CC3CC4CC(C1)C4(C3)C2
InChIInChI=1S/C12H18/c1-11-4-8-2-9-3-10(6-11)12(9,5-8)7-11/h8-10H,2-7H2,1H3
InChIKeyYKIVYJIOVINTAO-UHFFFAOYSA-N
MW162.28 g/mol
LogP3.22
Rot. Bonds

About 1-methyltetracyclo[5.3.1.03,9.05,9]undecane

1-methyltetracyclo[5.3.1.03,9.05,9]undecane (PubChem CID 23551663) has the molecular formula C12H18 and a molecular weight of 162.28 g/mol. Its IUPAC name is 1-methyltetracyclo[5.3.1.03,9.05,9]undecane.

Molecular Properties

Compound Name1-methyltetracyclo[5.3.1.03,9.05,9]undecane
PubChem CID23551663
Molecular FormulaC12H18
Molecular Weight162.28 g/mol
Exact Mass162.14
IUPAC Name1-methyltetracyclo[5.3.1.03,9.05,9]undecane
SMILESCC12CC3CC4CC(C1)C4(C3)C2
InChIInChI=1S/C12H18/c1-11-4-8-2-9-3-10(6-11)12(9,5-8)7-11/h8-10H,2-7H2,1H3
InChIKeyYKIVYJIOVINTAO-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 1-methyltetracyclo[5.3.1.03,9.05,9]undecane?
The IUPAC name of 1-methyltetracyclo[5.3.1.03,9.05,9]undecane (CID 23551663) is 1-methyltetracyclo[5.3.1.03,9.05,9]undecane.
What is the SMILES notation for 1-methyltetracyclo[5.3.1.03,9.05,9]undecane?
The canonical SMILES for 1-methyltetracyclo[5.3.1.03,9.05,9]undecane is CC12CC3CC4CC(C1)C4(C3)C2.
What is the InChIKey of 1-methyltetracyclo[5.3.1.03,9.05,9]undecane?
The InChIKey is YKIVYJIOVINTAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18/c1-11-4-8-2-9-3-10(6-11)12(9,5-8)7-11/h8-10H,2-7H2,1H3.
What are the key properties of 1-methyltetracyclo[5.3.1.03,9.05,9]undecane?
1-methyltetracyclo[5.3.1.03,9.05,9]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 1-methyltetracyclo[5.3.1.03,9.05,9]undecane is sourced from PubChem (CID 23551663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).