1-(1-adamantyloxy)adamantane

C20H30O — CID 5149460

IUPAC1-(1-adamantyloxy)adamantane
SMILESC1C2CC3CC1CC(OC14CC5CC(CC(C5)C1)C4)(C2)C3
InChIInChI=1S/C20H30O/c1-13-2-15-3-14(1)8-19(7-13,9-15)21-20-10-16-4-17(11-20)6-18(5-16)12-20/h13-18H,1-12H2
InChIKeyQVVJLUAZVYFOOV-UHFFFAOYSA-N
MW286.46 g/mol
LogP4.94
Rot. Bonds2

About 1-(1-adamantyloxy)adamantane

1-(1-adamantyloxy)adamantane (PubChem CID 5149460) has the molecular formula C20H30O and a molecular weight of 286.46 g/mol. Its IUPAC name is 1-(1-adamantyloxy)adamantane.

Molecular Properties

Compound Name1-(1-adamantyloxy)adamantane
PubChem CID5149460
Molecular FormulaC20H30O
Molecular Weight286.46 g/mol
Exact Mass286.23
IUPAC Name1-(1-adamantyloxy)adamantane
SMILESC1C2CC3CC1CC(OC14CC5CC(CC(C5)C1)C4)(C2)C3
InChIInChI=1S/C20H30O/c1-13-2-15-3-14(1)8-19(7-13,9-15)21-20-10-16-4-17(11-20)6-18(5-16)12-20/h13-18H,1-12H2
InChIKeyQVVJLUAZVYFOOV-UHFFFAOYSA-N
XLogP4.94
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyloxy)adamantane?
The IUPAC name of 1-(1-adamantyloxy)adamantane (CID 5149460) is 1-(1-adamantyloxy)adamantane.
What is the SMILES notation for 1-(1-adamantyloxy)adamantane?
The canonical SMILES for 1-(1-adamantyloxy)adamantane is C1C2CC3CC1CC(OC14CC5CC(CC(C5)C1)C4)(C2)C3.
What is the InChIKey of 1-(1-adamantyloxy)adamantane?
The InChIKey is QVVJLUAZVYFOOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30O/c1-13-2-15-3-14(1)8-19(7-13,9-15)21-20-10-16-4-17(11-20)6-18(5-16)12-20/h13-18H,1-12H2.
What are the key properties of 1-(1-adamantyloxy)adamantane?
1-(1-adamantyloxy)adamantane has a molecular weight of 286.46 g/mol, XLogP of 4.94, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantyloxy)adamantane is sourced from PubChem (CID 5149460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).