3-(1-adamantyl)pentan-3-ol

C15H26O — CID 3916017

IUPAC3-(1-adamantyl)pentan-3-ol
SMILESCCC(O)(CC)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H26O/c1-3-15(16,4-2)14-8-11-5-12(9-14)7-13(6-11)10-14/h11-13,16H,3-10H2,1-2H3
InChIKeyJVEBYNJARVNXIR-UHFFFAOYSA-N
MW222.37 g/mol
LogP3.75
Rot. Bonds3

About 3-(1-adamantyl)pentan-3-ol

3-(1-adamantyl)pentan-3-ol (PubChem CID 3916017) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is 3-(1-adamantyl)pentan-3-ol.

Molecular Properties

Compound Name3-(1-adamantyl)pentan-3-ol
PubChem CID3916017
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Name3-(1-adamantyl)pentan-3-ol
SMILESCCC(O)(CC)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H26O/c1-3-15(16,4-2)14-8-11-5-12(9-14)7-13(6-11)10-14/h11-13,16H,3-10H2,1-2H3
InChIKeyJVEBYNJARVNXIR-UHFFFAOYSA-N
XLogP3.75
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.37
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(1-adamantyl)pentan-3-ol?
The IUPAC name of 3-(1-adamantyl)pentan-3-ol (CID 3916017) is 3-(1-adamantyl)pentan-3-ol.
What is the SMILES notation for 3-(1-adamantyl)pentan-3-ol?
The canonical SMILES for 3-(1-adamantyl)pentan-3-ol is CCC(O)(CC)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 3-(1-adamantyl)pentan-3-ol?
The InChIKey is JVEBYNJARVNXIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O/c1-3-15(16,4-2)14-8-11-5-12(9-14)7-13(6-11)10-14/h11-13,16H,3-10H2,1-2H3.
What are the key properties of 3-(1-adamantyl)pentan-3-ol?
3-(1-adamantyl)pentan-3-ol has a molecular weight of 222.37 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-adamantyl)pentan-3-ol is sourced from PubChem (CID 3916017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).