4-(10-methoxydecoxy)thiane 1,1-dioxide

C16H32O4S — CID 164916307

IUPAC4-(10-methoxydecoxy)thiane 1,1-dioxide
SMILESCOCCCCCCCCCCOC1CCS(=O)(=O)CC1
InChIInChI=1S/C16H32O4S/c1-19-12-8-6-4-2-3-5-7-9-13-20-16-10-14-21(17,18)15-11-16/h16H,2-15H2,1H3
InChIKeyWFZIKASSZSAVPY-UHFFFAOYSA-N
MW320.50 g/mol
LogP3.35
Rot. Bonds12

About 4-(10-methoxydecoxy)thiane 1,1-dioxide

4-(10-methoxydecoxy)thiane 1,1-dioxide (PubChem CID 164916307) has the molecular formula C16H32O4S and a molecular weight of 320.50 g/mol. Its IUPAC name is 4-(10-methoxydecoxy)thiane 1,1-dioxide.

Molecular Properties

Compound Name4-(10-methoxydecoxy)thiane 1,1-dioxide
PubChem CID164916307
Molecular FormulaC16H32O4S
Molecular Weight320.50 g/mol
Exact Mass320.20
IUPAC Name4-(10-methoxydecoxy)thiane 1,1-dioxide
SMILESCOCCCCCCCCCCOC1CCS(=O)(=O)CC1
InChIInChI=1S/C16H32O4S/c1-19-12-8-6-4-2-3-5-7-9-13-20-16-10-14-21(17,18)15-11-16/h16H,2-15H2,1H3
InChIKeyWFZIKASSZSAVPY-UHFFFAOYSA-N
XLogP3.35
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.50
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(3S)-3-hexadecoxythiolane 1,1-dioxide
CID 98117286
3-methoxypropoxycyclooctane
CID 68608033
4-(4-methoxybutoxy)cyclohexane-1-carboxylic acid
CID 114451014
1-(4-methoxybutoxy)-4-(4-methoxybutoxymethyl)cyclohexane
CID 126699389
N-ethyl-4-(4-methoxybutoxy)cyclohexan-1-amine
CID 104647209
(3R)-3-propoxythiolane 1,1-dioxide
CID 51410713
[(3S)-1,1-dioxothiolan-3-yl]-(3-methoxypropyl)azanium
CID 7128966
(3S)-3-[2-[2-[(3S)-1,1-dioxothiolan-3-yl]oxyethoxy]ethoxy]thiolane 1,1-dioxide
CID 40549365
heptoxycyclopropane
CID 54099544
tert-butyl 4-(6-methoxyhexoxy)piperidine-1-carboxylate
CID 22492952
3-[1-chloro-2-(chloromethyl)-6-methoxyhexan-2-yl]thiolane 1,1-dioxide
CID 113437254
1-methoxy-6-(6-methoxyhexoxy)hexane
CID 154493017

Frequently Asked Questions

What is the IUPAC name of 4-(10-methoxydecoxy)thiane 1,1-dioxide?
The IUPAC name of 4-(10-methoxydecoxy)thiane 1,1-dioxide (CID 164916307) is 4-(10-methoxydecoxy)thiane 1,1-dioxide.
What is the SMILES notation for 4-(10-methoxydecoxy)thiane 1,1-dioxide?
The canonical SMILES for 4-(10-methoxydecoxy)thiane 1,1-dioxide is COCCCCCCCCCCOC1CCS(=O)(=O)CC1.
What is the InChIKey of 4-(10-methoxydecoxy)thiane 1,1-dioxide?
The InChIKey is WFZIKASSZSAVPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O4S/c1-19-12-8-6-4-2-3-5-7-9-13-20-16-10-14-21(17,18)15-11-16/h16H,2-15H2,1H3.
What are the key properties of 4-(10-methoxydecoxy)thiane 1,1-dioxide?
4-(10-methoxydecoxy)thiane 1,1-dioxide has a molecular weight of 320.50 g/mol, XLogP of 3.35, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(10-methoxydecoxy)thiane 1,1-dioxide is sourced from PubChem (CID 164916307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).