actinium;2-ethyl-6-ethylsulfanyl-4-(6-ethyl-3,4,5-trimethyloxan-2-yl)oxy-5-methyloxan-3-ol

C20H38AcO4S — CID 21339737

IUPACactinium;2-ethyl-6-ethylsulfanyl-4-(6-ethyl-3,4,5-trimethyloxan-2-yl)oxy-5-methyloxan-3-ol
SMILESCCSC1OC(CC)C(O)C(OC2OC(CC)C(C)C(C)C2C)C1C.[Ac]
InChIInChI=1S/C20H38O4S.Ac/c1-8-15-12(5)11(4)13(6)19(22-15)24-18-14(7)20(25-10-3)23-16(9-2)17(18)21;/h11-21H,8-10H2,1-7H3;
InChIKeyUYOLBAORTZSFSM-UHFFFAOYSA-N
MW601.59 g/mol
LogP4.30
Rot. Bonds6

About actinium;2-ethyl-6-ethylsulfanyl-4-(6-ethyl-3,4,5-trimethyloxan-2-yl)oxy-5-methyloxan-3-ol

actinium;2-ethyl-6-ethylsulfanyl-4-(6-ethyl-3,4,5-trimethyloxan-2-yl)oxy-5-methyloxan-3-ol (PubChem CID 21339737) has the molecular formula C20H38AcO4S and a molecular weight of 601.59 g/mol. Its IUPAC name is actinium;2-ethyl-6-ethylsulfanyl-4-(6-ethyl-3,4,5-trimethyloxan-2-yl)oxy-5-methyloxan-3-ol.

Molecular Properties

Compound Nameactinium;2-ethyl-6-ethylsulfanyl-4-(6-ethyl-3,4,5-trimethyloxan-2-yl)oxy-5-methyloxan-3-ol
PubChem CID21339737
Molecular FormulaC20H38AcO4S
Molecular Weight601.59 g/mol
Exact Mass601.28
IUPAC Nameactinium;2-ethyl-6-ethylsulfanyl-4-(6-ethyl-3,4,5-trimethyloxan-2-yl)oxy-5-methyloxan-3-ol
SMILESCCSC1OC(CC)C(O)C(OC2OC(CC)C(C)C(C)C2C)C1C.[Ac]
InChIInChI=1S/C20H38O4S.Ac/c1-8-15-12(5)11(4)13(6)19(22-15)24-18-14(7)20(25-10-3)23-16(9-2)17(18)21;/h11-21H,8-10H2,1-7H3;
InChIKeyUYOLBAORTZSFSM-UHFFFAOYSA-N
XLogP4.30
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500601.59
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 86290234
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CID 10345813
Undecyl 4-O-alpha-D-glucopyranosyl-1-thio-beta-D-glucopyranoside
CID 11504459
Nonyl-|A-D-1-thiomaltoside
CID 11663071
Methyl 6-deoxy-6-[(1s,2s,5r)-2-isopropyl-5-methylcyclohexylsulfanyl]-beta-d-galactopyranoside
CID 129746573
Methyl 6-deoxy-6-[(1s,2s,5r)-2-isopropyl-5-methylcyclohexylsulfanyl]-alpha-d-galactopyranoside
CID 129747280
3-[2-(2,2-Dimethoxyethyl)-1,3-dithian-2-yl]-1,1-diethoxybutan-2-ol
CID 134936620
Thiooctyl-maltoside
CID 589363
Dodecyl b-D-thiomaltopyranoside
CID 11627845
Octyl b-D-thiomaltopyranoside
CID 11684240
1-(12-Cyclohexyldodecoxy)-3-[2-[2-(oxan-2-yloxy)ethoxy]ethylsulfanyl]propan-2-ol
CID 19901023
1-[2-[2-(Oxan-2-yloxy)ethoxy]ethylsulfanyl]-3-(3,7,11,15-tetramethylhexadecoxy)propan-2-ol
CID 19901099

Frequently Asked Questions

What is the IUPAC name of actinium;2-ethyl-6-ethylsulfanyl-4-(6-ethyl-3,4,5-trimethyloxan-2-yl)oxy-5-methyloxan-3-ol?
The IUPAC name of actinium;2-ethyl-6-ethylsulfanyl-4-(6-ethyl-3,4,5-trimethyloxan-2-yl)oxy-5-methyloxan-3-ol (CID 21339737) is actinium;2-ethyl-6-ethylsulfanyl-4-(6-ethyl-3,4,5-trimethyloxan-2-yl)oxy-5-methyloxan-3-ol.
What is the SMILES notation for actinium;2-ethyl-6-ethylsulfanyl-4-(6-ethyl-3,4,5-trimethyloxan-2-yl)oxy-5-methyloxan-3-ol?
The canonical SMILES for actinium;2-ethyl-6-ethylsulfanyl-4-(6-ethyl-3,4,5-trimethyloxan-2-yl)oxy-5-methyloxan-3-ol is CCSC1OC(CC)C(O)C(OC2OC(CC)C(C)C(C)C2C)C1C.[Ac].
What is the InChIKey of actinium;2-ethyl-6-ethylsulfanyl-4-(6-ethyl-3,4,5-trimethyloxan-2-yl)oxy-5-methyloxan-3-ol?
The InChIKey is UYOLBAORTZSFSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38O4S.Ac/c1-8-15-12(5)11(4)13(6)19(22-15)24-18-14(7)20(25-10-3)23-16(9-2)17(18)21;/h11-21H,8-10H2,1-7H3;.
What are the key properties of actinium;2-ethyl-6-ethylsulfanyl-4-(6-ethyl-3,4,5-trimethyloxan-2-yl)oxy-5-methyloxan-3-ol?
actinium;2-ethyl-6-ethylsulfanyl-4-(6-ethyl-3,4,5-trimethyloxan-2-yl)oxy-5-methyloxan-3-ol has a molecular weight of 601.59 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for actinium;2-ethyl-6-ethylsulfanyl-4-(6-ethyl-3,4,5-trimethyloxan-2-yl)oxy-5-methyloxan-3-ol is sourced from PubChem (CID 21339737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).