1'-ethyl-6,6-dimethylspiro[bicyclo[3.1.1]heptane-2,3'-cyclobutane]-1'-ol

C14H24O — CID 142311973

IUPAC1'-ethyl-6,6-dimethylspiro[bicyclo[3.1.1]heptane-2,3'-cyclobutane]-1'-ol
SMILESCCC1(O)CC2(CCC3CC2C3(C)C)C1
InChIInChI=1S/C14H24O/c1-4-14(15)8-13(9-14)6-5-10-7-11(13)12(10,2)3/h10-11,15H,4-9H2,1-3H3
InChIKeyVKSIPAJFPWYOGO-UHFFFAOYSA-N
MW208.34 g/mol
LogP3.36
Rot. Bonds1

About 1'-ethyl-6,6-dimethylspiro[bicyclo[3.1.1]heptane-2,3'-cyclobutane]-1'-ol

1'-ethyl-6,6-dimethylspiro[bicyclo[3.1.1]heptane-2,3'-cyclobutane]-1'-ol (PubChem CID 142311973) has the molecular formula C14H24O and a molecular weight of 208.34 g/mol. Its IUPAC name is 1'-ethyl-6,6-dimethylspiro[bicyclo[3.1.1]heptane-2,3'-cyclobutane]-1'-ol.

Molecular Properties

Compound Name1'-ethyl-6,6-dimethylspiro[bicyclo[3.1.1]heptane-2,3'-cyclobutane]-1'-ol
PubChem CID142311973
Molecular FormulaC14H24O
Molecular Weight208.34 g/mol
Exact Mass208.18
IUPAC Name1'-ethyl-6,6-dimethylspiro[bicyclo[3.1.1]heptane-2,3'-cyclobutane]-1'-ol
SMILESCCC1(O)CC2(CCC3CC2C3(C)C)C1
InChIInChI=1S/C14H24O/c1-4-14(15)8-13(9-14)6-5-10-7-11(13)12(10,2)3/h10-11,15H,4-9H2,1-3H3
InChIKeyVKSIPAJFPWYOGO-UHFFFAOYSA-N
XLogP3.36
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.34
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1'-ethyl-6,6-dimethylspiro[bicyclo[3.1.1]heptane-2,3'-cyclobutane]-1'-ol?
The IUPAC name of 1'-ethyl-6,6-dimethylspiro[bicyclo[3.1.1]heptane-2,3'-cyclobutane]-1'-ol (CID 142311973) is 1'-ethyl-6,6-dimethylspiro[bicyclo[3.1.1]heptane-2,3'-cyclobutane]-1'-ol.
What is the SMILES notation for 1'-ethyl-6,6-dimethylspiro[bicyclo[3.1.1]heptane-2,3'-cyclobutane]-1'-ol?
The canonical SMILES for 1'-ethyl-6,6-dimethylspiro[bicyclo[3.1.1]heptane-2,3'-cyclobutane]-1'-ol is CCC1(O)CC2(CCC3CC2C3(C)C)C1.
What is the InChIKey of 1'-ethyl-6,6-dimethylspiro[bicyclo[3.1.1]heptane-2,3'-cyclobutane]-1'-ol?
The InChIKey is VKSIPAJFPWYOGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O/c1-4-14(15)8-13(9-14)6-5-10-7-11(13)12(10,2)3/h10-11,15H,4-9H2,1-3H3.
What are the key properties of 1'-ethyl-6,6-dimethylspiro[bicyclo[3.1.1]heptane-2,3'-cyclobutane]-1'-ol?
1'-ethyl-6,6-dimethylspiro[bicyclo[3.1.1]heptane-2,3'-cyclobutane]-1'-ol has a molecular weight of 208.34 g/mol, XLogP of 3.36, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-ethyl-6,6-dimethylspiro[bicyclo[3.1.1]heptane-2,3'-cyclobutane]-1'-ol is sourced from PubChem (CID 142311973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).