5-ethyl-7,8-dimethylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-6-ol

C16H22O2 — CID 143245676

IUPAC5-ethyl-7,8-dimethylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-6-ol
SMILESCCc1c(O)c(C)c(C)c2c1CCC1(CCC1)O2
InChIInChI=1S/C16H22O2/c1-4-12-13-6-9-16(7-5-8-16)18-15(13)11(3)10(2)14(12)17/h17H,4-9H2,1-3H3
InChIKeyMMQBPHDFHFLOKB-UHFFFAOYSA-N
MW246.35 g/mol
LogP3.82
Rot. Bonds1

About 5-ethyl-7,8-dimethylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-6-ol

5-ethyl-7,8-dimethylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-6-ol (PubChem CID 143245676) has the molecular formula C16H22O2 and a molecular weight of 246.35 g/mol. Its IUPAC name is 5-ethyl-7,8-dimethylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-6-ol.

Molecular Properties

Compound Name5-ethyl-7,8-dimethylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-6-ol
PubChem CID143245676
Molecular FormulaC16H22O2
Molecular Weight246.35 g/mol
Exact Mass246.16
IUPAC Name5-ethyl-7,8-dimethylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-6-ol
SMILESCCc1c(O)c(C)c(C)c2c1CCC1(CCC1)O2
InChIInChI=1S/C16H22O2/c1-4-12-13-6-9-16(7-5-8-16)18-15(13)11(3)10(2)14(12)17/h17H,4-9H2,1-3H3
InChIKeyMMQBPHDFHFLOKB-UHFFFAOYSA-N
XLogP3.82
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7,8-dimethyl-5-[(2E)-3,5,7-trimethylocta-2,6-dienyl]spiro[3,4-dihydrochromene-2,1'-cyclobutane]-6-ol
CID 58659696
4,6,7-trimethylspiro[3H-1-benzofuran-2,1'-cycloheptane]-5-ol
CID 15490498
5-(2-hydroxyethyl)-2,2,7,8-tetramethyl-3,4-dihydrochromen-6-ol
CID 11622944
5,7,8-trimethylspiro[3,4-dihydrochromene-2,3'-oxetane]-6-ol
CID 11543196
7-(3,7-dimethylocta-2,6-dienyl)-5,8-dimethylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-6-ol
CID 69054620
4-(ethylaminomethyl)-5,7,8-trimethylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-6-ol
CID 69053956
(2R)-5-(azidomethyl)-2-hexadecyl-2,7,8-trimethyl-3,4-dihydrochromen-6-ol
CID 154720105
5,7,8-trimethylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4,6-diol
CID 69055305
1-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)propan-1-one
CID 145405922
2-bromo-2-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)acetaldehyde
CID 87890937
(2S)-2-(2,2-dimethylpropyl)-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol
CID 59125262
(2R)-5-[2-[(2R)-6-hydroxy-2,7,8-trimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-5-yl]ethyl]-2,7,8-trimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-ol
CID 13343559

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-7,8-dimethylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-6-ol?
The IUPAC name of 5-ethyl-7,8-dimethylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-6-ol (CID 143245676) is 5-ethyl-7,8-dimethylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-6-ol.
What is the SMILES notation for 5-ethyl-7,8-dimethylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-6-ol?
The canonical SMILES for 5-ethyl-7,8-dimethylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-6-ol is CCc1c(O)c(C)c(C)c2c1CCC1(CCC1)O2.
What is the InChIKey of 5-ethyl-7,8-dimethylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-6-ol?
The InChIKey is MMQBPHDFHFLOKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O2/c1-4-12-13-6-9-16(7-5-8-16)18-15(13)11(3)10(2)14(12)17/h17H,4-9H2,1-3H3.
What are the key properties of 5-ethyl-7,8-dimethylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-6-ol?
5-ethyl-7,8-dimethylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-6-ol has a molecular weight of 246.35 g/mol, XLogP of 3.82, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-7,8-dimethylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-6-ol is sourced from PubChem (CID 143245676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).