1,2,5,7-tetramethyladamantane

C14H24 — CID 600873

IUPAC1,2,5,7-tetramethyladamantane
SMILESCC1C2CC3(C)CC(C)(C2)CC1(C)C3
InChIInChI=1S/C14H24/c1-10-11-5-12(2)7-13(3,6-11)9-14(10,4)8-12/h10-11H,5-9H2,1-4H3
InChIKeyHBIKNLNXSSBQCT-UHFFFAOYSA-N
MW192.35 g/mol
LogP4.25
Rot. Bonds

About 1,2,5,7-tetramethyladamantane

1,2,5,7-tetramethyladamantane (PubChem CID 600873) has the molecular formula C14H24 and a molecular weight of 192.35 g/mol. Its IUPAC name is 1,2,5,7-tetramethyladamantane.

Molecular Properties

Compound Name1,2,5,7-tetramethyladamantane
PubChem CID600873
Molecular FormulaC14H24
Molecular Weight192.35 g/mol
Exact Mass192.19
IUPAC Name1,2,5,7-tetramethyladamantane
SMILESCC1C2CC3(C)CC(C)(C2)CC1(C)C3
InChIInChI=1S/C14H24/c1-10-11-5-12(2)7-13(3,6-11)9-14(10,4)8-12/h10-11H,5-9H2,1-4H3
InChIKeyHBIKNLNXSSBQCT-UHFFFAOYSA-N
XLogP4.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.35
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,2,5,7-tetramethyladamantane?
The IUPAC name of 1,2,5,7-tetramethyladamantane (CID 600873) is 1,2,5,7-tetramethyladamantane.
What is the SMILES notation for 1,2,5,7-tetramethyladamantane?
The canonical SMILES for 1,2,5,7-tetramethyladamantane is CC1C2CC3(C)CC(C)(C2)CC1(C)C3.
What is the InChIKey of 1,2,5,7-tetramethyladamantane?
The InChIKey is HBIKNLNXSSBQCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24/c1-10-11-5-12(2)7-13(3,6-11)9-14(10,4)8-12/h10-11H,5-9H2,1-4H3.
What are the key properties of 1,2,5,7-tetramethyladamantane?
1,2,5,7-tetramethyladamantane has a molecular weight of 192.35 g/mol, XLogP of 4.25, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,5,7-tetramethyladamantane is sourced from PubChem (CID 600873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).