CID 102308342

C18H30O4S2 — CID 102308342

IUPAC—
SMILESCOCO[C@H]1CCC2(SCCCS2)C2CCC3(C[C@]21C)OCCO3
InChIInChI=1S/C18H30O4S2/c1-16-12-17(21-8-9-22-17)6-4-14(16)18(23-10-3-11-24-18)7-5-15(16)20-13-19-2/h14-15H,3-13H2,1-2H3/t14?,15-,16+/m0/s1
InChIKeyZJXQHUNNDXGSMD-MERJSTESSA-N
MW374.57 g/mol
LogP3.89
Rot. Bonds3

About CID 102308342

CID 102308342 (PubChem CID 102308342) has the molecular formula C18H30O4S2 and a molecular weight of 374.57 g/mol.

Molecular Properties

Compound NameCID 102308342
PubChem CID102308342
Molecular FormulaC18H30O4S2
Molecular Weight374.57 g/mol
Exact Mass374.16
IUPAC Name—
SMILESCOCO[C@H]1CCC2(SCCCS2)C2CCC3(C[C@]21C)OCCO3
InChIInChI=1S/C18H30O4S2/c1-16-12-17(21-8-9-22-17)6-4-14(16)18(23-10-3-11-24-18)7-5-15(16)20-13-19-2/h14-15H,3-13H2,1-2H3/t14?,15-,16+/m0/s1
InChIKeyZJXQHUNNDXGSMD-MERJSTESSA-N
XLogP3.89
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.57
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

[(7'R,8'R,9'S,13'S,14'S,17'S)-17'-(methoxymethoxy)-13'-methylspiro[1,3-dioxolane-2,3'-2,4,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene]-7'-yl]methanol
CID 16744993
(5S,9R)-9-(methoxymethoxy)-1-oxaspiro[4.4]non-3-ene
CID 10679051
(7S)-7-(methoxymethyl)-7-methyl-1,4-dioxaspiro[4.5]decane
CID 129379894
dimethyl (3S,4aR,5R,8aS)-5-(methoxymethoxy)-4a-methyl-3-trimethylsilyloxy-2,3,4,5,6,7,8,8a-octahydronaphthalene-1,1-dicarboxylate
CID 10895000
CID 14939272
CID 14939272
(7'R,8'R,9'S,13'S,14'S,17'S)-17'-(methoxymethoxy)-13'-methylspiro[1,3-dioxolane-2,3'-2,4,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene]-7'-carbonitrile
CID 16744992
2-[2-[(1S,3aS,4R,5S,7aS)-1-(methoxymethoxy)-7a-methyl-5-prop-1-en-2-yl-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]ethyl]-1,3-dithiolane
CID 134878638
7-(3-methoxypropoxy)-1,4-dioxaspiro[4.5]decan-8-amine
CID 54936727
8-[3-(2-methoxyethoxy)propoxy]-1,4-dioxaspiro[4.5]decane
CID 103409869
(1'S,6'R)-1'-methylspiro[1,3-dioxolane-2,3'-bicyclo[4.1.0]heptane]
CID 125482825
ethyl 8-hydroxy-7-methyl-1,4-dioxaspiro[4.5]decane-7-carboxylate
CID 14525142
[2-(methoxymethoxy)-1-methylcyclohexyl] 2-methylprop-2-enoate
CID 135225191

Frequently Asked Questions

What is the IUPAC name of CID 102308342?
The IUPAC name of CID 102308342 (CID 102308342) is not available.
What is the SMILES notation for CID 102308342?
The canonical SMILES for CID 102308342 is COCO[C@H]1CCC2(SCCCS2)C2CCC3(C[C@]21C)OCCO3.
What is the InChIKey of CID 102308342?
The InChIKey is ZJXQHUNNDXGSMD-MERJSTESSA-N. The full InChI is InChI=1S/C18H30O4S2/c1-16-12-17(21-8-9-22-17)6-4-14(16)18(23-10-3-11-24-18)7-5-15(16)20-13-19-2/h14-15H,3-13H2,1-2H3/t14?,15-,16+/m0/s1.
What are the key properties of CID 102308342?
CID 102308342 has a molecular weight of 374.57 g/mol, XLogP of 3.89, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 102308342 is sourced from PubChem (CID 102308342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).