3-propan-2-yladamantan-1-ol

C13H22O — CID 14176969

IUPAC3-propan-2-yladamantan-1-ol
SMILESCC(C)C12CC3CC(CC(O)(C3)C1)C2
InChIInChI=1S/C13H22O/c1-9(2)12-4-10-3-11(5-12)7-13(14,6-10)8-12/h9-11,14H,3-8H2,1-2H3
InChIKeyCIGVNBDLKNGATQ-UHFFFAOYSA-N
MW194.32 g/mol
LogP2.97
Rot. Bonds1

About 3-propan-2-yladamantan-1-ol

3-propan-2-yladamantan-1-ol (PubChem CID 14176969) has the molecular formula C13H22O and a molecular weight of 194.32 g/mol. Its IUPAC name is 3-propan-2-yladamantan-1-ol.

Molecular Properties

Compound Name3-propan-2-yladamantan-1-ol
PubChem CID14176969
Molecular FormulaC13H22O
Molecular Weight194.32 g/mol
Exact Mass194.17
IUPAC Name3-propan-2-yladamantan-1-ol
SMILESCC(C)C12CC3CC(CC(O)(C3)C1)C2
InChIInChI=1S/C13H22O/c1-9(2)12-4-10-3-11(5-12)7-13(14,6-10)8-12/h9-11,14H,3-8H2,1-2H3
InChIKeyCIGVNBDLKNGATQ-UHFFFAOYSA-N
XLogP2.97
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
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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Related Compounds

1-Adamantanol
CID 64152
2-[1-Adamantyl]propan-2-ol
CID 300814
3,5-Dimethyl-1-adamantanol
CID 265793
3,5,7-Trimethyladamantan-1-ol
CID 368330
5,7-Dimethyladamantane-1,3-diol
CID 580605
Hydropyrenol
CID 132526302
3-Trifluoromethyladamantan-1-ol
CID 13401039
3-Fluoroadamantan-1-ol
CID 13448360
1,4,5a,8a-tetramethyl-2,3,3a,5,6,7,8,9,10,10a,10b,10c-dodecahydro-1H-pyren-4-ol
CID 90659736
3-Ethyladamantan-1-ol
CID 3472936
3-Methyl-1-adamantanol
CID 4071557
3xi-4-Copanol
CID 14807649

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yladamantan-1-ol?
The IUPAC name of 3-propan-2-yladamantan-1-ol (CID 14176969) is 3-propan-2-yladamantan-1-ol.
What is the SMILES notation for 3-propan-2-yladamantan-1-ol?
The canonical SMILES for 3-propan-2-yladamantan-1-ol is CC(C)C12CC3CC(CC(O)(C3)C1)C2.
What is the InChIKey of 3-propan-2-yladamantan-1-ol?
The InChIKey is CIGVNBDLKNGATQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O/c1-9(2)12-4-10-3-11(5-12)7-13(14,6-10)8-12/h9-11,14H,3-8H2,1-2H3.
What are the key properties of 3-propan-2-yladamantan-1-ol?
3-propan-2-yladamantan-1-ol has a molecular weight of 194.32 g/mol, XLogP of 2.97, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yladamantan-1-ol is sourced from PubChem (CID 14176969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).