7'-methylsulfanylspiro[1,3-dioxane-2,3'-2,4-dihydro-1H-naphthalene]

C14H18O2S — CID 54346468

IUPAC7'-methylsulfanylspiro[1,3-dioxane-2,3'-2,4-dihydro-1H-naphthalene]
SMILESCSc1ccc2c(c1)CCC1(C2)OCCCO1
InChIInChI=1S/C14H18O2S/c1-17-13-4-3-12-10-14(6-5-11(12)9-13)15-7-2-8-16-14/h3-4,9H,2,5-8,10H2,1H3
InChIKeyUCQIGNRNYSJEMC-UHFFFAOYSA-N
MW250.36 g/mol
LogP3.03
Rot. Bonds1

About 7'-methylsulfanylspiro[1,3-dioxane-2,3'-2,4-dihydro-1H-naphthalene]

7'-methylsulfanylspiro[1,3-dioxane-2,3'-2,4-dihydro-1H-naphthalene] (PubChem CID 54346468) has the molecular formula C14H18O2S and a molecular weight of 250.36 g/mol. Its IUPAC name is 7'-methylsulfanylspiro[1,3-dioxane-2,3'-2,4-dihydro-1H-naphthalene].

Molecular Properties

Compound Name7'-methylsulfanylspiro[1,3-dioxane-2,3'-2,4-dihydro-1H-naphthalene]
PubChem CID54346468
Molecular FormulaC14H18O2S
Molecular Weight250.36 g/mol
Exact Mass250.10
IUPAC Name7'-methylsulfanylspiro[1,3-dioxane-2,3'-2,4-dihydro-1H-naphthalene]
SMILESCSc1ccc2c(c1)CCC1(C2)OCCCO1
InChIInChI=1S/C14H18O2S/c1-17-13-4-3-12-10-14(6-5-11(12)9-13)15-7-2-8-16-14/h3-4,9H,2,5-8,10H2,1H3
InChIKeyUCQIGNRNYSJEMC-UHFFFAOYSA-N
XLogP3.03
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7'-methylsulfanylspiro[1,3-dioxane-2,3'-2,4-dihydro-1H-naphthalene]?
The IUPAC name of 7'-methylsulfanylspiro[1,3-dioxane-2,3'-2,4-dihydro-1H-naphthalene] (CID 54346468) is 7'-methylsulfanylspiro[1,3-dioxane-2,3'-2,4-dihydro-1H-naphthalene].
What is the SMILES notation for 7'-methylsulfanylspiro[1,3-dioxane-2,3'-2,4-dihydro-1H-naphthalene]?
The canonical SMILES for 7'-methylsulfanylspiro[1,3-dioxane-2,3'-2,4-dihydro-1H-naphthalene] is CSc1ccc2c(c1)CCC1(C2)OCCCO1.
What is the InChIKey of 7'-methylsulfanylspiro[1,3-dioxane-2,3'-2,4-dihydro-1H-naphthalene]?
The InChIKey is UCQIGNRNYSJEMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O2S/c1-17-13-4-3-12-10-14(6-5-11(12)9-13)15-7-2-8-16-14/h3-4,9H,2,5-8,10H2,1H3.
What are the key properties of 7'-methylsulfanylspiro[1,3-dioxane-2,3'-2,4-dihydro-1H-naphthalene]?
7'-methylsulfanylspiro[1,3-dioxane-2,3'-2,4-dihydro-1H-naphthalene] has a molecular weight of 250.36 g/mol, XLogP of 3.03, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7'-methylsulfanylspiro[1,3-dioxane-2,3'-2,4-dihydro-1H-naphthalene] is sourced from PubChem (CID 54346468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).