adamantane

C10H16 — CID 9238

IUPACadamantane
SMILESC1C2CC3CC1CC(C2)C3
InChIInChI=1S/C10H16/c1-7-2-9-4-8(1)5-10(3-7)6-9/h7-10H,1-6H2
InChIKeyORILYTVJVMAKLC-UHFFFAOYSA-N
MW136.24 g/mol
LogP2.83
Rot. Bonds

About adamantane

adamantane (PubChem CID 9238) has the molecular formula C10H16 and a molecular weight of 136.24 g/mol. Its IUPAC name is adamantane.

Molecular Properties

Compound Nameadamantane
PubChem CID9238
Molecular FormulaC10H16
Molecular Weight136.24 g/mol
Exact Mass136.13
IUPAC Nameadamantane
SMILESC1C2CC3CC1CC(C2)C3
InChIInChI=1S/C10H16/c1-7-2-9-4-8(1)5-10(3-7)6-9/h7-10H,1-6H2
InChIKeyORILYTVJVMAKLC-UHFFFAOYSA-N
XLogP2.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.24
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of adamantane?
The IUPAC name of adamantane (CID 9238) is adamantane.
What is the SMILES notation for adamantane?
The canonical SMILES for adamantane is C1C2CC3CC1CC(C2)C3.
What is the InChIKey of adamantane?
The InChIKey is ORILYTVJVMAKLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16/c1-7-2-9-4-8(1)5-10(3-7)6-9/h7-10H,1-6H2.
What are the key properties of adamantane?
adamantane has a molecular weight of 136.24 g/mol, XLogP of 2.83, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for adamantane is sourced from PubChem (CID 9238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).