4-methyl-4-nonan-3-yl-1,3,2-dioxathietane 2,2-dioxide

C11H22O4S — CID 140569211

IUPAC4-methyl-4-nonan-3-yl-1,3,2-dioxathietane 2,2-dioxide
SMILESCCCCCCC(CC)C1(C)OS(=O)(=O)O1
InChIInChI=1S/C11H22O4S/c1-4-6-7-8-9-10(5-2)11(3)14-16(12,13)15-11/h10H,4-9H2,1-3H3
InChIKeyUFXKYTQYZQVSRE-UHFFFAOYSA-N
MW250.36 g/mol
LogP2.99
Rot. Bonds7

About 4-methyl-4-nonan-3-yl-1,3,2-dioxathietane 2,2-dioxide

4-methyl-4-nonan-3-yl-1,3,2-dioxathietane 2,2-dioxide (PubChem CID 140569211) has the molecular formula C11H22O4S and a molecular weight of 250.36 g/mol. Its IUPAC name is 4-methyl-4-nonan-3-yl-1,3,2-dioxathietane 2,2-dioxide.

Molecular Properties

Compound Name4-methyl-4-nonan-3-yl-1,3,2-dioxathietane 2,2-dioxide
PubChem CID140569211
Molecular FormulaC11H22O4S
Molecular Weight250.36 g/mol
Exact Mass250.12
IUPAC Name4-methyl-4-nonan-3-yl-1,3,2-dioxathietane 2,2-dioxide
SMILESCCCCCCC(CC)C1(C)OS(=O)(=O)O1
InChIInChI=1S/C11H22O4S/c1-4-6-7-8-9-10(5-2)11(3)14-16(12,13)15-11/h10H,4-9H2,1-3H3
InChIKeyUFXKYTQYZQVSRE-UHFFFAOYSA-N
XLogP2.99
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 52.99
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

4-(2-methyltetradecyl)-2,2-dioxo-1,3,2-dioxathietan-4-ol
CID 139804110
2-octan-3-yloxirane-2-carbaldehyde;hydrate
CID 87550549
2-chloro-2,3-dimethyl-3-tridecan-4-yloxirane
CID 141375232
1,1,2-trimethyl-3-propan-2-yl-2-tetradecan-5-ylcyclopropane
CID 123606512
icosan-3-ol
CID 14940768
2-methyl-2-[1-(2-methyl-1,3-dioxolan-2-yl)heptan-2-yl]-1,3-dioxolane
CID 13347477
2-octan-3-yl-2-[(2-octan-3-yloxiran-2-yl)methoxymethyl]oxirane
CID 87059632
decane;dodecane-1,1-diol
CID 162011285
nonacosane-1,1-diol
CID 23066924
heptane-1,1-diol;hexane-1,1-diol
CID 161393558
icosan-6-ol
CID 19931277
hexatriacontan-17-ol
CID 3020851

Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-nonan-3-yl-1,3,2-dioxathietane 2,2-dioxide?
The IUPAC name of 4-methyl-4-nonan-3-yl-1,3,2-dioxathietane 2,2-dioxide (CID 140569211) is 4-methyl-4-nonan-3-yl-1,3,2-dioxathietane 2,2-dioxide.
What is the SMILES notation for 4-methyl-4-nonan-3-yl-1,3,2-dioxathietane 2,2-dioxide?
The canonical SMILES for 4-methyl-4-nonan-3-yl-1,3,2-dioxathietane 2,2-dioxide is CCCCCCC(CC)C1(C)OS(=O)(=O)O1.
What is the InChIKey of 4-methyl-4-nonan-3-yl-1,3,2-dioxathietane 2,2-dioxide?
The InChIKey is UFXKYTQYZQVSRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O4S/c1-4-6-7-8-9-10(5-2)11(3)14-16(12,13)15-11/h10H,4-9H2,1-3H3.
What are the key properties of 4-methyl-4-nonan-3-yl-1,3,2-dioxathietane 2,2-dioxide?
4-methyl-4-nonan-3-yl-1,3,2-dioxathietane 2,2-dioxide has a molecular weight of 250.36 g/mol, XLogP of 2.99, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-nonan-3-yl-1,3,2-dioxathietane 2,2-dioxide is sourced from PubChem (CID 140569211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).