2-[1'-(hydroxymethyl)-2,2-dimethylspiro[bicyclo[2.2.1]heptane-3,3'-cyclobutane]-1'-yl]ethanol

C15H26O2 — CID 139233768

IUPAC2-[1'-(hydroxymethyl)-2,2-dimethylspiro[bicyclo[2.2.1]heptane-3,3'-cyclobutane]-1'-yl]ethanol
SMILESCC1(C)C2CCC(C2)C12CC(CO)(CCO)C2
InChIInChI=1S/C15H26O2/c1-13(2)11-3-4-12(7-11)15(13)8-14(9-15,10-17)5-6-16/h11-12,16-17H,3-10H2,1-2H3
InChIKeyHWFBRBWXXTVHEB-UHFFFAOYSA-N
MW238.37 g/mol
LogP2.58
Rot. Bonds3

About 2-[1'-(hydroxymethyl)-2,2-dimethylspiro[bicyclo[2.2.1]heptane-3,3'-cyclobutane]-1'-yl]ethanol

2-[1'-(hydroxymethyl)-2,2-dimethylspiro[bicyclo[2.2.1]heptane-3,3'-cyclobutane]-1'-yl]ethanol (PubChem CID 139233768) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is 2-[1'-(hydroxymethyl)-2,2-dimethylspiro[bicyclo[2.2.1]heptane-3,3'-cyclobutane]-1'-yl]ethanol.

Molecular Properties

Compound Name2-[1'-(hydroxymethyl)-2,2-dimethylspiro[bicyclo[2.2.1]heptane-3,3'-cyclobutane]-1'-yl]ethanol
PubChem CID139233768
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name2-[1'-(hydroxymethyl)-2,2-dimethylspiro[bicyclo[2.2.1]heptane-3,3'-cyclobutane]-1'-yl]ethanol
SMILESCC1(C)C2CCC(C2)C12CC(CO)(CCO)C2
InChIInChI=1S/C15H26O2/c1-13(2)11-3-4-12(7-11)15(13)8-14(9-15,10-17)5-6-16/h11-12,16-17H,3-10H2,1-2H3
InChIKeyHWFBRBWXXTVHEB-UHFFFAOYSA-N
XLogP2.58
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1'-(hydroxymethyl)-2,2-dimethylspiro[bicyclo[2.2.1]heptane-3,3'-cyclobutane]-1'-yl]ethanol?
The IUPAC name of 2-[1'-(hydroxymethyl)-2,2-dimethylspiro[bicyclo[2.2.1]heptane-3,3'-cyclobutane]-1'-yl]ethanol (CID 139233768) is 2-[1'-(hydroxymethyl)-2,2-dimethylspiro[bicyclo[2.2.1]heptane-3,3'-cyclobutane]-1'-yl]ethanol.
What is the SMILES notation for 2-[1'-(hydroxymethyl)-2,2-dimethylspiro[bicyclo[2.2.1]heptane-3,3'-cyclobutane]-1'-yl]ethanol?
The canonical SMILES for 2-[1'-(hydroxymethyl)-2,2-dimethylspiro[bicyclo[2.2.1]heptane-3,3'-cyclobutane]-1'-yl]ethanol is CC1(C)C2CCC(C2)C12CC(CO)(CCO)C2.
What is the InChIKey of 2-[1'-(hydroxymethyl)-2,2-dimethylspiro[bicyclo[2.2.1]heptane-3,3'-cyclobutane]-1'-yl]ethanol?
The InChIKey is HWFBRBWXXTVHEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O2/c1-13(2)11-3-4-12(7-11)15(13)8-14(9-15,10-17)5-6-16/h11-12,16-17H,3-10H2,1-2H3.
What are the key properties of 2-[1'-(hydroxymethyl)-2,2-dimethylspiro[bicyclo[2.2.1]heptane-3,3'-cyclobutane]-1'-yl]ethanol?
2-[1'-(hydroxymethyl)-2,2-dimethylspiro[bicyclo[2.2.1]heptane-3,3'-cyclobutane]-1'-yl]ethanol has a molecular weight of 238.37 g/mol, XLogP of 2.58, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1'-(hydroxymethyl)-2,2-dimethylspiro[bicyclo[2.2.1]heptane-3,3'-cyclobutane]-1'-yl]ethanol is sourced from PubChem (CID 139233768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).