3-propyladamantan-1-ol

C13H22O — CID 591983

IUPAC3-propyladamantan-1-ol
SMILESCCCC12CC3CC(CC(O)(C3)C1)C2
InChIInChI=1S/C13H22O/c1-2-3-12-5-10-4-11(6-12)8-13(14,7-10)9-12/h10-11,14H,2-9H2,1H3
InChIKeyDASJOTIHKLXABK-UHFFFAOYSA-N
MW194.32 g/mol
LogP3.12
Rot. Bonds2

About 3-propyladamantan-1-ol

3-propyladamantan-1-ol (PubChem CID 591983) has the molecular formula C13H22O and a molecular weight of 194.32 g/mol. Its IUPAC name is 3-propyladamantan-1-ol.

Molecular Properties

Compound Name3-propyladamantan-1-ol
PubChem CID591983
Molecular FormulaC13H22O
Molecular Weight194.32 g/mol
Exact Mass194.17
IUPAC Name3-propyladamantan-1-ol
SMILESCCCC12CC3CC(CC(O)(C3)C1)C2
InChIInChI=1S/C13H22O/c1-2-3-12-5-10-4-11(6-12)8-13(14,7-10)9-12/h10-11,14H,2-9H2,1H3
InChIKeyDASJOTIHKLXABK-UHFFFAOYSA-N
XLogP3.12
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 ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-Adamantanol
CID 64152
2-[1-Adamantyl]propan-2-ol
CID 300814
3,5-Dimethyl-1-adamantanol
CID 265793
2-(Tricyclo(3.3.1.1'3,7)dec-1-yl)ethanol
CID 110810
3,5,7-Trimethyladamantan-1-ol
CID 368330
3,5-Dimethyl-1-adamantanemethanol
CID 4050097
1-Methoxyadamantane
CID 584854
5,7-Dimethyladamantane-1,3-diol
CID 580605
(1S)-1-(adamantan-1-yl)ethan-1-ol
CID 7058341
3-Trifluoromethyladamantan-1-ol
CID 13401039
3-Fluoroadamantan-1-ol
CID 13448360
1-(1-Adamantyl)propan-1-ol
CID 584510

Frequently Asked Questions

What is the IUPAC name of 3-propyladamantan-1-ol?
The IUPAC name of 3-propyladamantan-1-ol (CID 591983) is 3-propyladamantan-1-ol.
What is the SMILES notation for 3-propyladamantan-1-ol?
The canonical SMILES for 3-propyladamantan-1-ol is CCCC12CC3CC(CC(O)(C3)C1)C2.
What is the InChIKey of 3-propyladamantan-1-ol?
The InChIKey is DASJOTIHKLXABK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O/c1-2-3-12-5-10-4-11(6-12)8-13(14,7-10)9-12/h10-11,14H,2-9H2,1H3.
What are the key properties of 3-propyladamantan-1-ol?
3-propyladamantan-1-ol has a molecular weight of 194.32 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propyladamantan-1-ol is sourced from PubChem (CID 591983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).