adamantane;bis(bicyclo[2.2.1]heptane);ethane;propane

C31H60 — CID 160698530

IUPACadamantane;bis(bicyclo[2.2.1]heptane);ethane;propane
SMILESC1C2CC3CC1CC(C2)C3.C1CC2CCC1C2.C1CC2CCC1C2.CC.CC.CCC
InChIInChI=1S/C10H16.2C7H12.C3H8.2C2H6/c1-7-2-9-4-8(1)5-10(3-7)6-9;2*1-2-7-4-3-6(1)5-7;1-3-2;2*1-2/h7-10H,1-6H2;2*6-7H,1-5H2;3H2,1-2H3;2*1-2H3
InChIKeyRQHQAFUUUIAPCK-UHFFFAOYSA-N
MW432.82 g/mol
LogP10.69
Rot. Bonds

About adamantane;bis(bicyclo[2.2.1]heptane);ethane;propane

adamantane;bis(bicyclo[2.2.1]heptane);ethane;propane (PubChem CID 160698530) has the molecular formula C31H60 and a molecular weight of 432.82 g/mol. Its IUPAC name is adamantane;bis(bicyclo[2.2.1]heptane);ethane;propane.

Molecular Properties

Compound Nameadamantane;bis(bicyclo[2.2.1]heptane);ethane;propane
PubChem CID160698530
Molecular FormulaC31H60
Molecular Weight432.82 g/mol
Exact Mass432.47
IUPAC Nameadamantane;bis(bicyclo[2.2.1]heptane);ethane;propane
SMILESC1C2CC3CC1CC(C2)C3.C1CC2CCC1C2.C1CC2CCC1C2.CC.CC.CCC
InChIInChI=1S/C10H16.2C7H12.C3H8.2C2H6/c1-7-2-9-4-8(1)5-10(3-7)6-9;2*1-2-7-4-3-6(1)5-7;1-3-2;2*1-2/h7-10H,1-6H2;2*6-7H,1-5H2;3H2,1-2H3;2*1-2H3
InChIKeyRQHQAFUUUIAPCK-UHFFFAOYSA-N
XLogP10.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.82
LogP ≤ 510.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of adamantane;bis(bicyclo[2.2.1]heptane);ethane;propane?
The IUPAC name of adamantane;bis(bicyclo[2.2.1]heptane);ethane;propane (CID 160698530) is adamantane;bis(bicyclo[2.2.1]heptane);ethane;propane.
What is the SMILES notation for adamantane;bis(bicyclo[2.2.1]heptane);ethane;propane?
The canonical SMILES for adamantane;bis(bicyclo[2.2.1]heptane);ethane;propane is C1C2CC3CC1CC(C2)C3.C1CC2CCC1C2.C1CC2CCC1C2.CC.CC.CCC.
What is the InChIKey of adamantane;bis(bicyclo[2.2.1]heptane);ethane;propane?
The InChIKey is RQHQAFUUUIAPCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16.2C7H12.C3H8.2C2H6/c1-7-2-9-4-8(1)5-10(3-7)6-9;2*1-2-7-4-3-6(1)5-7;1-3-2;2*1-2/h7-10H,1-6H2;2*6-7H,1-5H2;3H2,1-2H3;2*1-2H3.
What are the key properties of adamantane;bis(bicyclo[2.2.1]heptane);ethane;propane?
adamantane;bis(bicyclo[2.2.1]heptane);ethane;propane has a molecular weight of 432.82 g/mol, XLogP of 10.69, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for adamantane;bis(bicyclo[2.2.1]heptane);ethane;propane is sourced from PubChem (CID 160698530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).