3,4-dihydronaphthalen-1-yloxy-ethyl-dimethyl-λ4-sulfane

C14H20OS — CID 144517002

IUPAC3,4-dihydronaphthalen-1-yloxy-ethyl-dimethyl-λ4-sulfane
SMILESCCS(C)(C)OC1=CCCc2ccccc21
InChIInChI=1S/C14H20OS/c1-4-16(2,3)15-14-11-7-9-12-8-5-6-10-13(12)14/h5-6,8,10-11H,4,7,9H2,1-3H3
InChIKeyGSLQTAYLCFRRAC-UHFFFAOYSA-N
MW236.38 g/mol
LogP3.99
Rot. Bonds3

About 3,4-dihydronaphthalen-1-yloxy-ethyl-dimethyl-λ4-sulfane

3,4-dihydronaphthalen-1-yloxy-ethyl-dimethyl-λ4-sulfane (PubChem CID 144517002) has the molecular formula C14H20OS and a molecular weight of 236.38 g/mol. Its IUPAC name is 3,4-dihydronaphthalen-1-yloxy-ethyl-dimethyl-λ4-sulfane.

Molecular Properties

Compound Name3,4-dihydronaphthalen-1-yloxy-ethyl-dimethyl-λ4-sulfane
PubChem CID144517002
Molecular FormulaC14H20OS
Molecular Weight236.38 g/mol
Exact Mass236.12
IUPAC Name3,4-dihydronaphthalen-1-yloxy-ethyl-dimethyl-λ4-sulfane
SMILESCCS(C)(C)OC1=CCCc2ccccc21
InChIInChI=1S/C14H20OS/c1-4-16(2,3)15-14-11-7-9-12-8-5-6-10-13(12)14/h5-6,8,10-11H,4,7,9H2,1-3H3
InChIKeyGSLQTAYLCFRRAC-UHFFFAOYSA-N
XLogP3.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.38
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydronaphthalen-1-yloxy-ethyl-dimethyl-λ4-sulfane?
The IUPAC name of 3,4-dihydronaphthalen-1-yloxy-ethyl-dimethyl-λ4-sulfane (CID 144517002) is 3,4-dihydronaphthalen-1-yloxy-ethyl-dimethyl-λ4-sulfane.
What is the SMILES notation for 3,4-dihydronaphthalen-1-yloxy-ethyl-dimethyl-λ4-sulfane?
The canonical SMILES for 3,4-dihydronaphthalen-1-yloxy-ethyl-dimethyl-λ4-sulfane is CCS(C)(C)OC1=CCCc2ccccc21.
What is the InChIKey of 3,4-dihydronaphthalen-1-yloxy-ethyl-dimethyl-λ4-sulfane?
The InChIKey is GSLQTAYLCFRRAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20OS/c1-4-16(2,3)15-14-11-7-9-12-8-5-6-10-13(12)14/h5-6,8,10-11H,4,7,9H2,1-3H3.
What are the key properties of 3,4-dihydronaphthalen-1-yloxy-ethyl-dimethyl-λ4-sulfane?
3,4-dihydronaphthalen-1-yloxy-ethyl-dimethyl-λ4-sulfane has a molecular weight of 236.38 g/mol, XLogP of 3.99, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydronaphthalen-1-yloxy-ethyl-dimethyl-λ4-sulfane is sourced from PubChem (CID 144517002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).