1-(1-adamantyl)propan-1-ol

C13H22O — CID 584510

IUPAC1-(1-adamantyl)propan-1-ol
SMILESCCC(O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C13H22O/c1-2-12(14)13-6-9-3-10(7-13)5-11(4-9)8-13/h9-12,14H,2-8H2,1H3
InChIKeyMOIZSTYCKHOFQK-UHFFFAOYSA-N
MW194.32 g/mol
LogP2.97
Rot. Bonds2

About 1-(1-adamantyl)propan-1-ol

1-(1-adamantyl)propan-1-ol (PubChem CID 584510) has the molecular formula C13H22O and a molecular weight of 194.32 g/mol. Its IUPAC name is 1-(1-adamantyl)propan-1-ol.

Molecular Properties

Compound Name1-(1-adamantyl)propan-1-ol
PubChem CID584510
Molecular FormulaC13H22O
Molecular Weight194.32 g/mol
Exact Mass194.17
IUPAC Name1-(1-adamantyl)propan-1-ol
SMILESCCC(O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C13H22O/c1-2-12(14)13-6-9-3-10(7-13)5-11(4-9)8-13/h9-12,14H,2-8H2,1H3
InChIKeyMOIZSTYCKHOFQK-UHFFFAOYSA-N
XLogP2.97
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyl)propan-1-ol?
The IUPAC name of 1-(1-adamantyl)propan-1-ol (CID 584510) is 1-(1-adamantyl)propan-1-ol.
What is the SMILES notation for 1-(1-adamantyl)propan-1-ol?
The canonical SMILES for 1-(1-adamantyl)propan-1-ol is CCC(O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-(1-adamantyl)propan-1-ol?
The InChIKey is MOIZSTYCKHOFQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O/c1-2-12(14)13-6-9-3-10(7-13)5-11(4-9)8-13/h9-12,14H,2-8H2,1H3.
What are the key properties of 1-(1-adamantyl)propan-1-ol?
1-(1-adamantyl)propan-1-ol has a molecular weight of 194.32 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantyl)propan-1-ol is sourced from PubChem (CID 584510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).