2,2-dimethyl-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)cyclobutan-1-ol

C16H22O2 — CID 66366089

IUPAC2,2-dimethyl-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)cyclobutan-1-ol
SMILESCC1(C)C(O)CC1OC1CCCc2ccccc21
InChIInChI=1S/C16H22O2/c1-16(2)14(17)10-15(16)18-13-9-5-7-11-6-3-4-8-12(11)13/h3-4,6,8,13-15,17H,5,7,9-10H2,1-2H3
InChIKeyDSBIRBQMYUSWSK-UHFFFAOYSA-N
MW246.35 g/mol
LogP3.24
Rot. Bonds2

About 2,2-dimethyl-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)cyclobutan-1-ol

2,2-dimethyl-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)cyclobutan-1-ol (PubChem CID 66366089) has the molecular formula C16H22O2 and a molecular weight of 246.35 g/mol. Its IUPAC name is 2,2-dimethyl-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)cyclobutan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)cyclobutan-1-ol
PubChem CID66366089
Molecular FormulaC16H22O2
Molecular Weight246.35 g/mol
Exact Mass246.16
IUPAC Name2,2-dimethyl-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)cyclobutan-1-ol
SMILESCC1(C)C(O)CC1OC1CCCc2ccccc21
InChIInChI=1S/C16H22O2/c1-16(2)14(17)10-15(16)18-13-9-5-7-11-6-3-4-8-12(11)13/h3-4,6,8,13-15,17H,5,7,9-10H2,1-2H3
InChIKeyDSBIRBQMYUSWSK-UHFFFAOYSA-N
XLogP3.24
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)spiro[3.4]octan-1-ol
CID 66366088
N,2,2-trimethyl-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)cyclobutan-1-amine
CID 66357591
1-(3-chloro-2,2-diethylcyclobutyl)oxy-1,2,3,4-tetrahydronaphthalene
CID 66345937
N-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)cyclobutan-1-amine
CID 66357997
2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)oxane
CID 11085661
2-methoxy-N-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)cyclobutan-1-amine
CID 104674500
1,2,3,4-tetrahydronaphthalen-1-ol
CID 10723
(1R)-1-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-1,2,3,4-tetrahydronaphthalene
CID 101156511
1-(2-chloroethoxy)-1,2,3,4-tetrahydronaphthalene
CID 43135615
N-(1,2,3,4-tetrahydronaphthalen-1-yloxy)methanimine
CID 174418938
3-[(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)amino]-2,2-dimethylcyclobutan-1-ol
CID 114628980
2,2-dimethyl-3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)cyclobutan-1-ol
CID 66346470

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)cyclobutan-1-ol?
The IUPAC name of 2,2-dimethyl-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)cyclobutan-1-ol (CID 66366089) is 2,2-dimethyl-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)cyclobutan-1-ol.
What is the SMILES notation for 2,2-dimethyl-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)cyclobutan-1-ol?
The canonical SMILES for 2,2-dimethyl-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)cyclobutan-1-ol is CC1(C)C(O)CC1OC1CCCc2ccccc21.
What is the InChIKey of 2,2-dimethyl-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)cyclobutan-1-ol?
The InChIKey is DSBIRBQMYUSWSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O2/c1-16(2)14(17)10-15(16)18-13-9-5-7-11-6-3-4-8-12(11)13/h3-4,6,8,13-15,17H,5,7,9-10H2,1-2H3.
What are the key properties of 2,2-dimethyl-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)cyclobutan-1-ol?
2,2-dimethyl-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)cyclobutan-1-ol has a molecular weight of 246.35 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)cyclobutan-1-ol is sourced from PubChem (CID 66366089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).