1,2,3,10,12-pentamethylpentacyclo[5.5.0.02,6.04,10.08,12]dodecane

C17H26 — CID 123405539

IUPAC1,2,3,10,12-pentamethylpentacyclo[5.5.0.02,6.04,10.08,12]dodecane
SMILESCC1C2CC3C4C5CC2(C)CC5(C)C4(C)C13C
InChIInChI=1S/C17H26/c1-9-10-6-11-13-12-7-14(10,2)8-15(12,3)17(13,5)16(9,11)4/h9-13H,6-8H2,1-5H3
InChIKeyCZFWAPMYHIKXCT-UHFFFAOYSA-N
MW230.39 g/mol
LogP4.35
Rot. Bonds

About 1,2,3,10,12-pentamethylpentacyclo[5.5.0.02,6.04,10.08,12]dodecane

1,2,3,10,12-pentamethylpentacyclo[5.5.0.02,6.04,10.08,12]dodecane (PubChem CID 123405539) has the molecular formula C17H26 and a molecular weight of 230.39 g/mol. Its IUPAC name is 1,2,3,10,12-pentamethylpentacyclo[5.5.0.02,6.04,10.08,12]dodecane.

Molecular Properties

Compound Name1,2,3,10,12-pentamethylpentacyclo[5.5.0.02,6.04,10.08,12]dodecane
PubChem CID123405539
Molecular FormulaC17H26
Molecular Weight230.39 g/mol
Exact Mass230.20
IUPAC Name1,2,3,10,12-pentamethylpentacyclo[5.5.0.02,6.04,10.08,12]dodecane
SMILESCC1C2CC3C4C5CC2(C)CC5(C)C4(C)C13C
InChIInChI=1S/C17H26/c1-9-10-6-11-13-12-7-14(10,2)8-15(12,3)17(13,5)16(9,11)4/h9-13H,6-8H2,1-5H3
InChIKeyCZFWAPMYHIKXCT-UHFFFAOYSA-N
XLogP4.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.39
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,10,12-pentamethylpentacyclo[5.5.0.02,6.04,10.08,12]dodecane?
The IUPAC name of 1,2,3,10,12-pentamethylpentacyclo[5.5.0.02,6.04,10.08,12]dodecane (CID 123405539) is 1,2,3,10,12-pentamethylpentacyclo[5.5.0.02,6.04,10.08,12]dodecane.
What is the SMILES notation for 1,2,3,10,12-pentamethylpentacyclo[5.5.0.02,6.04,10.08,12]dodecane?
The canonical SMILES for 1,2,3,10,12-pentamethylpentacyclo[5.5.0.02,6.04,10.08,12]dodecane is CC1C2CC3C4C5CC2(C)CC5(C)C4(C)C13C.
What is the InChIKey of 1,2,3,10,12-pentamethylpentacyclo[5.5.0.02,6.04,10.08,12]dodecane?
The InChIKey is CZFWAPMYHIKXCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26/c1-9-10-6-11-13-12-7-14(10,2)8-15(12,3)17(13,5)16(9,11)4/h9-13H,6-8H2,1-5H3.
What are the key properties of 1,2,3,10,12-pentamethylpentacyclo[5.5.0.02,6.04,10.08,12]dodecane?
1,2,3,10,12-pentamethylpentacyclo[5.5.0.02,6.04,10.08,12]dodecane has a molecular weight of 230.39 g/mol, XLogP of 4.35, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,10,12-pentamethylpentacyclo[5.5.0.02,6.04,10.08,12]dodecane is sourced from PubChem (CID 123405539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).