(8S)-8-methyl-8-(phenylsulfanylmethyl)-1,4-dioxaspiro[4.4]nonane

C15H20O2S — CID 71418403

IUPAC(8S)-8-methyl-8-(phenylsulfanylmethyl)-1,4-dioxaspiro[4.4]nonane
SMILESC[C@]1(CSc2ccccc2)CCC2(C1)OCCO2
InChIInChI=1S/C15H20O2S/c1-14(12-18-13-5-3-2-4-6-13)7-8-15(11-14)16-9-10-17-15/h2-6H,7-12H2,1H3/t14-/m0/s1
InChIKeyRPQCVSWIOHDDMM-AWEZNQCLSA-N
MW264.39 g/mol
LogP3.71
Rot. Bonds3

About (8S)-8-methyl-8-(phenylsulfanylmethyl)-1,4-dioxaspiro[4.4]nonane

(8S)-8-methyl-8-(phenylsulfanylmethyl)-1,4-dioxaspiro[4.4]nonane (PubChem CID 71418403) has the molecular formula C15H20O2S and a molecular weight of 264.39 g/mol. Its IUPAC name is (8S)-8-methyl-8-(phenylsulfanylmethyl)-1,4-dioxaspiro[4.4]nonane.

Molecular Properties

Compound Name(8S)-8-methyl-8-(phenylsulfanylmethyl)-1,4-dioxaspiro[4.4]nonane
PubChem CID71418403
Molecular FormulaC15H20O2S
Molecular Weight264.39 g/mol
Exact Mass264.12
IUPAC Name(8S)-8-methyl-8-(phenylsulfanylmethyl)-1,4-dioxaspiro[4.4]nonane
SMILESC[C@]1(CSc2ccccc2)CCC2(C1)OCCO2
InChIInChI=1S/C15H20O2S/c1-14(12-18-13-5-3-2-4-6-13)7-8-15(11-14)16-9-10-17-15/h2-6H,7-12H2,1H3/t14-/m0/s1
InChIKeyRPQCVSWIOHDDMM-AWEZNQCLSA-N
XLogP3.71
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (8S)-8-methyl-8-(phenylsulfanylmethyl)-1,4-dioxaspiro[4.4]nonane?
The IUPAC name of (8S)-8-methyl-8-(phenylsulfanylmethyl)-1,4-dioxaspiro[4.4]nonane (CID 71418403) is (8S)-8-methyl-8-(phenylsulfanylmethyl)-1,4-dioxaspiro[4.4]nonane.
What is the SMILES notation for (8S)-8-methyl-8-(phenylsulfanylmethyl)-1,4-dioxaspiro[4.4]nonane?
The canonical SMILES for (8S)-8-methyl-8-(phenylsulfanylmethyl)-1,4-dioxaspiro[4.4]nonane is C[C@]1(CSc2ccccc2)CCC2(C1)OCCO2.
What is the InChIKey of (8S)-8-methyl-8-(phenylsulfanylmethyl)-1,4-dioxaspiro[4.4]nonane?
The InChIKey is RPQCVSWIOHDDMM-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H20O2S/c1-14(12-18-13-5-3-2-4-6-13)7-8-15(11-14)16-9-10-17-15/h2-6H,7-12H2,1H3/t14-/m0/s1.
What are the key properties of (8S)-8-methyl-8-(phenylsulfanylmethyl)-1,4-dioxaspiro[4.4]nonane?
(8S)-8-methyl-8-(phenylsulfanylmethyl)-1,4-dioxaspiro[4.4]nonane has a molecular weight of 264.39 g/mol, XLogP of 3.71, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-8-methyl-8-(phenylsulfanylmethyl)-1,4-dioxaspiro[4.4]nonane is sourced from PubChem (CID 71418403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).