3-methyl-1-(3-methylbutoxy)butane;molecular iodine

C10H22I2O — CID 131712143

IUPAC3-methyl-1-(3-methylbutoxy)butane;molecular iodine
SMILESCC(C)CCOCCC(C)C.II
InChIInChI=1S/C10H22O.I2/c1-9(2)5-7-11-8-6-10(3)4;1-2/h9-10H,5-8H2,1-4H3;
InChIKeyAOSYWMCVEISDOX-UHFFFAOYSA-N
MW412.09 g/mol
LogP4.87
Rot. Bonds6

About 3-methyl-1-(3-methylbutoxy)butane;molecular iodine

3-methyl-1-(3-methylbutoxy)butane;molecular iodine (PubChem CID 131712143) has the molecular formula C10H22I2O and a molecular weight of 412.09 g/mol. Its IUPAC name is 3-methyl-1-(3-methylbutoxy)butane;molecular iodine.

Molecular Properties

Compound Name3-methyl-1-(3-methylbutoxy)butane;molecular iodine
PubChem CID131712143
Molecular FormulaC10H22I2O
Molecular Weight412.09 g/mol
Exact Mass411.98
IUPAC Name3-methyl-1-(3-methylbutoxy)butane;molecular iodine
SMILESCC(C)CCOCCC(C)C.II
InChIInChI=1S/C10H22O.I2/c1-9(2)5-7-11-8-6-10(3)4;1-2/h9-10H,5-8H2,1-4H3;
InChIKeyAOSYWMCVEISDOX-UHFFFAOYSA-N
XLogP4.87
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.09
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-1-[2-[2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butane
CID 118631027
gallane;3-methyl-1-(3-methylbutoxy)butane
CID 174967258
3-methyl-1-[2-(2-methylpropoxy)ethoxy]butane
CID 90326526
2-[2-[2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 6428229
2-[2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethylazanium
CID 142623254
1-[2-(2-butoxyethoxy)ethoxy]-3-methylbutane
CID 88620736
1-(3-methoxypropoxy)-3-methylbutane
CID 18925853
3-methyl-1-[3-(2-methylpropoxy)propoxy]butane
CID 171414218
6-methyl-1-(3-methylbutoxy)heptan-3-ol
CID 115001714
1-(3-methylbutoxy)pentan-3-amine
CID 62599909
1-(2-butan-2-yloxyethoxy)-3-methylbutane
CID 165127882
3-methyl-5-(3-methylbutoxy)pentan-1-ol
CID 175419850

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(3-methylbutoxy)butane;molecular iodine?
The IUPAC name of 3-methyl-1-(3-methylbutoxy)butane;molecular iodine (CID 131712143) is 3-methyl-1-(3-methylbutoxy)butane;molecular iodine.
What is the SMILES notation for 3-methyl-1-(3-methylbutoxy)butane;molecular iodine?
The canonical SMILES for 3-methyl-1-(3-methylbutoxy)butane;molecular iodine is CC(C)CCOCCC(C)C.II.
What is the InChIKey of 3-methyl-1-(3-methylbutoxy)butane;molecular iodine?
The InChIKey is AOSYWMCVEISDOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O.I2/c1-9(2)5-7-11-8-6-10(3)4;1-2/h9-10H,5-8H2,1-4H3;.
What are the key properties of 3-methyl-1-(3-methylbutoxy)butane;molecular iodine?
3-methyl-1-(3-methylbutoxy)butane;molecular iodine has a molecular weight of 412.09 g/mol, XLogP of 4.87, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(3-methylbutoxy)butane;molecular iodine is sourced from PubChem (CID 131712143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).