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

C14H18O2S — CID 57318585

IUPAC4-methyl-7'-methylsulfanylspiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-naphthalene]
SMILESCSc1ccc2c(c1)CCC1(C2)OCC(C)O1
InChIInChI=1S/C14H18O2S/c1-10-9-15-14(16-10)6-5-11-7-13(17-2)4-3-12(11)8-14/h3-4,7,10H,5-6,8-9H2,1-2H3
InChIKeyBZSMMKXBUFXCCT-UHFFFAOYSA-N
MW250.36 g/mol
LogP3.03
Rot. Bonds1

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

4-methyl-7'-methylsulfanylspiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-naphthalene] (PubChem CID 57318585) has the molecular formula C14H18O2S and a molecular weight of 250.36 g/mol. Its IUPAC name is 4-methyl-7'-methylsulfanylspiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-naphthalene].

Molecular Properties

Compound Name4-methyl-7'-methylsulfanylspiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-naphthalene]
PubChem CID57318585
Molecular FormulaC14H18O2S
Molecular Weight250.36 g/mol
Exact Mass250.10
IUPAC Name4-methyl-7'-methylsulfanylspiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-naphthalene]
SMILESCSc1ccc2c(c1)CCC1(C2)OCC(C)O1
InChIInChI=1S/C14H18O2S/c1-10-9-15-14(16-10)6-5-11-7-13(17-2)4-3-12(11)8-14/h3-4,7,10H,5-6,8-9H2,1-2H3
InChIKeyBZSMMKXBUFXCCT-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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Related Compounds

8-(Naphthalen-2-ylsulfanylmethylidene)-1,4-dioxaspiro[4.5]decane
CID 102202187
3,3-dimethoxy-7-methylsulfanyl-2,4-dihydro-1H-naphthalene
CID 10130958
7'-methylsulfanylspiro[1,3-dioxane-2,3'-2,4-dihydro-1H-naphthalene]
CID 54346468
2-Methyl-2-({4-[(propan-2-yl)sulfanyl]phenyl}methyl)-1,3-dioxolane
CID 71408772
8-(3-Methylsulfanylphenyl)-1,4-dioxaspiro[4.5]dec-7-ene
CID 91611005
ethane;spiro[1,3-dioxolane-2,7'-6,8-dihydro-5H-naphthalene]-1'-thiol
CID 141778550
6-Methylsulfanyl-1,2,3,4-tetrahydronaphthalen-2-ol
CID 141904375
trimethyl-(4'-methylsulfanylspiro[1,3-dioxolane-2,5'-7,8-dihydro-6H-naphthalene]-1'-yl)stannane
CID 10715905
(3aS,4S,9R,9aR)-2,2-dimethyl-4,9-bis(methylsulfanyl)-3a,4,9,9a-tetrahydrobenzo[f][1,3]benzodioxole
CID 13053504
spiro[1,3-dioxolane-2,7'-6,8-dihydro-5H-naphthalene]-1'-thiol
CID 141778551

Frequently Asked Questions

What is the IUPAC name of 4-methyl-7'-methylsulfanylspiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-naphthalene]?
The IUPAC name of 4-methyl-7'-methylsulfanylspiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-naphthalene] (CID 57318585) is 4-methyl-7'-methylsulfanylspiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-naphthalene].
What is the SMILES notation for 4-methyl-7'-methylsulfanylspiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-naphthalene]?
The canonical SMILES for 4-methyl-7'-methylsulfanylspiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-naphthalene] is CSc1ccc2c(c1)CCC1(C2)OCC(C)O1.
What is the InChIKey of 4-methyl-7'-methylsulfanylspiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-naphthalene]?
The InChIKey is BZSMMKXBUFXCCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O2S/c1-10-9-15-14(16-10)6-5-11-7-13(17-2)4-3-12(11)8-14/h3-4,7,10H,5-6,8-9H2,1-2H3.
What are the key properties of 4-methyl-7'-methylsulfanylspiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-naphthalene]?
4-methyl-7'-methylsulfanylspiro[1,3-dioxolane-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 4-methyl-7'-methylsulfanylspiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-naphthalene] is sourced from PubChem (CID 57318585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).