3,5-dipropyladamantan-1-ol

C16H28O — CID 71257511

IUPAC3,5-dipropyladamantan-1-ol
SMILESCCCC12CC3CC(O)(C1)CC(CCC)(C3)C2
InChIInChI=1S/C16H28O/c1-3-5-14-7-13-8-15(10-14,6-4-2)12-16(17,9-13)11-14/h13,17H,3-12H2,1-2H3
InChIKeyJPORJAIEXFNKMY-UHFFFAOYSA-N
MW236.40 g/mol
LogP4.29
Rot. Bonds4

About 3,5-dipropyladamantan-1-ol

3,5-dipropyladamantan-1-ol (PubChem CID 71257511) has the molecular formula C16H28O and a molecular weight of 236.40 g/mol. Its IUPAC name is 3,5-dipropyladamantan-1-ol.

Molecular Properties

Compound Name3,5-dipropyladamantan-1-ol
PubChem CID71257511
Molecular FormulaC16H28O
Molecular Weight236.40 g/mol
Exact Mass236.21
IUPAC Name3,5-dipropyladamantan-1-ol
SMILESCCCC12CC3CC(O)(C1)CC(CCC)(C3)C2
InChIInChI=1S/C16H28O/c1-3-5-14-7-13-8-15(10-14,6-4-2)12-16(17,9-13)11-14/h13,17H,3-12H2,1-2H3
InChIKeyJPORJAIEXFNKMY-UHFFFAOYSA-N
XLogP4.29
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,5-dipropyladamantan-1-ol?
The IUPAC name of 3,5-dipropyladamantan-1-ol (CID 71257511) is 3,5-dipropyladamantan-1-ol.
What is the SMILES notation for 3,5-dipropyladamantan-1-ol?
The canonical SMILES for 3,5-dipropyladamantan-1-ol is CCCC12CC3CC(O)(C1)CC(CCC)(C3)C2.
What is the InChIKey of 3,5-dipropyladamantan-1-ol?
The InChIKey is JPORJAIEXFNKMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O/c1-3-5-14-7-13-8-15(10-14,6-4-2)12-16(17,9-13)11-14/h13,17H,3-12H2,1-2H3.
What are the key properties of 3,5-dipropyladamantan-1-ol?
3,5-dipropyladamantan-1-ol has a molecular weight of 236.40 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dipropyladamantan-1-ol is sourced from PubChem (CID 71257511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).