pentacyclo[6.4.0.02,7.03,6.09,12]dodecane

C12H16 — CID 20675584

IUPACpentacyclo[6.4.0.02,7.03,6.09,12]dodecane
SMILESC1CC2C1C1C2C2C3CCC3C12
InChIInChI=1S/C12H16/c1-2-6-5(1)9-10(6)12-8-4-3-7(8)11(9)12/h5-12H,1-4H2
InChIKeyCWUAAECPDWVJSU-UHFFFAOYSA-N
MW160.26 g/mol
LogP2.54
Rot. Bonds

About pentacyclo[6.4.0.02,7.03,6.09,12]dodecane

pentacyclo[6.4.0.02,7.03,6.09,12]dodecane (PubChem CID 20675584) has the molecular formula C12H16 and a molecular weight of 160.26 g/mol. Its IUPAC name is pentacyclo[6.4.0.02,7.03,6.09,12]dodecane.

Molecular Properties

Compound Namepentacyclo[6.4.0.02,7.03,6.09,12]dodecane
PubChem CID20675584
Molecular FormulaC12H16
Molecular Weight160.26 g/mol
Exact Mass160.13
IUPAC Namepentacyclo[6.4.0.02,7.03,6.09,12]dodecane
SMILESC1CC2C1C1C2C2C3CCC3C12
InChIInChI=1S/C12H16/c1-2-6-5(1)9-10(6)12-8-4-3-7(8)11(9)12/h5-12H,1-4H2
InChIKeyCWUAAECPDWVJSU-UHFFFAOYSA-N
XLogP2.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyclooctane_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of pentacyclo[6.4.0.02,7.03,6.09,12]dodecane?
The IUPAC name of pentacyclo[6.4.0.02,7.03,6.09,12]dodecane (CID 20675584) is pentacyclo[6.4.0.02,7.03,6.09,12]dodecane.
What is the SMILES notation for pentacyclo[6.4.0.02,7.03,6.09,12]dodecane?
The canonical SMILES for pentacyclo[6.4.0.02,7.03,6.09,12]dodecane is C1CC2C1C1C2C2C3CCC3C12.
What is the InChIKey of pentacyclo[6.4.0.02,7.03,6.09,12]dodecane?
The InChIKey is CWUAAECPDWVJSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16/c1-2-6-5(1)9-10(6)12-8-4-3-7(8)11(9)12/h5-12H,1-4H2.
What are the key properties of pentacyclo[6.4.0.02,7.03,6.09,12]dodecane?
pentacyclo[6.4.0.02,7.03,6.09,12]dodecane has a molecular weight of 160.26 g/mol, XLogP of 2.54, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for pentacyclo[6.4.0.02,7.03,6.09,12]dodecane is sourced from PubChem (CID 20675584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).