pentacyclo[5.4.1.01,3.05,9.08,11]dodecane

C12H16 — CID 139773334

IUPACpentacyclo[5.4.1.01,3.05,9.08,11]dodecane
SMILESC1C2CC3CC34CC1C1C2CC14
InChIInChI=1S/C12H16/c1-6-2-8-5-12(8)4-7(1)11-9(6)3-10(11)12/h6-11H,1-5H2
InChIKeyGJFJKEWYWYIUEM-UHFFFAOYSA-N
MW160.26 g/mol
LogP2.69
Rot. Bonds

About pentacyclo[5.4.1.01,3.05,9.08,11]dodecane

pentacyclo[5.4.1.01,3.05,9.08,11]dodecane (PubChem CID 139773334) has the molecular formula C12H16 and a molecular weight of 160.26 g/mol. Its IUPAC name is pentacyclo[5.4.1.01,3.05,9.08,11]dodecane.

Molecular Properties

Compound Namepentacyclo[5.4.1.01,3.05,9.08,11]dodecane
PubChem CID139773334
Molecular FormulaC12H16
Molecular Weight160.26 g/mol
Exact Mass160.13
IUPAC Namepentacyclo[5.4.1.01,3.05,9.08,11]dodecane
SMILESC1C2CC3CC34CC1C1C2CC14
InChIInChI=1S/C12H16/c1-6-2-8-5-12(8)4-7(1)11-9(6)3-10(11)12/h6-11H,1-5H2
InChIKeyGJFJKEWYWYIUEM-UHFFFAOYSA-N
XLogP2.69
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 ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

Tricyclo[3.3.2.01,5]decane
CID 12729048
Tricyclo[5.4.1.01,5]dodecane
CID 135040983
Tetracyclo[5.4.1.04,12.09,12]dodecane
CID 12907941
Tetracyclo[6.3.0.02,6.03,11]undecane
CID 23524841
2-Methyltetracyclo[6.3.0.01,3.03,7]undecane
CID 59972678
4,7-Dimethyltricyclo[3.3.0.01,3]octane
CID 91187511
4-Ethyl-2,4,5-trimethyltricyclo[3.3.0.01,3]octane
CID 91488661
1-Butan-2-yl-2-methyltricyclo[4.2.1.03,9]nonane
CID 91599172
Tricyclo[3.3.0.01,3]octane
CID 123279715
2,3,9-Trimethyl-2-propyltricyclo[4.2.1.01,7]nonane
CID 123314990
1,5,7-Trimethyltricyclo[4.2.1.03,9]nonane
CID 123325101
2,4,5,6-Tetramethyltricyclo[4.2.1.01,7]nonane
CID 123342459

Frequently Asked Questions

What is the IUPAC name of pentacyclo[5.4.1.01,3.05,9.08,11]dodecane?
The IUPAC name of pentacyclo[5.4.1.01,3.05,9.08,11]dodecane (CID 139773334) is pentacyclo[5.4.1.01,3.05,9.08,11]dodecane.
What is the SMILES notation for pentacyclo[5.4.1.01,3.05,9.08,11]dodecane?
The canonical SMILES for pentacyclo[5.4.1.01,3.05,9.08,11]dodecane is C1C2CC3CC34CC1C1C2CC14.
What is the InChIKey of pentacyclo[5.4.1.01,3.05,9.08,11]dodecane?
The InChIKey is GJFJKEWYWYIUEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16/c1-6-2-8-5-12(8)4-7(1)11-9(6)3-10(11)12/h6-11H,1-5H2.
What are the key properties of pentacyclo[5.4.1.01,3.05,9.08,11]dodecane?
pentacyclo[5.4.1.01,3.05,9.08,11]dodecane has a molecular weight of 160.26 g/mol, XLogP of 2.69, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for pentacyclo[5.4.1.01,3.05,9.08,11]dodecane is sourced from PubChem (CID 139773334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).