3-butoxy-4-iodo-3-methylbutan-1-ol

C9H19IO2 — CID 88929319

IUPAC3-butoxy-4-iodo-3-methylbutan-1-ol
SMILESCCCCOC(C)(CI)CCO
InChIInChI=1S/C9H19IO2/c1-3-4-7-12-9(2,8-10)5-6-11/h11H,3-8H2,1-2H3
InChIKeyXUNSSPYMKKOFDC-UHFFFAOYSA-N
MW286.15 g/mol
LogP2.38
Rot. Bonds7

About 3-butoxy-4-iodo-3-methylbutan-1-ol

3-butoxy-4-iodo-3-methylbutan-1-ol (PubChem CID 88929319) has the molecular formula C9H19IO2 and a molecular weight of 286.15 g/mol. Its IUPAC name is 3-butoxy-4-iodo-3-methylbutan-1-ol.

Molecular Properties

Compound Name3-butoxy-4-iodo-3-methylbutan-1-ol
PubChem CID88929319
Molecular FormulaC9H19IO2
Molecular Weight286.15 g/mol
Exact Mass286.04
IUPAC Name3-butoxy-4-iodo-3-methylbutan-1-ol
SMILESCCCCOC(C)(CI)CCO
InChIInChI=1S/C9H19IO2/c1-3-4-7-12-9(2,8-10)5-6-11/h11H,3-8H2,1-2H3
InChIKeyXUNSSPYMKKOFDC-UHFFFAOYSA-N
XLogP2.38
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.15
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2-dibutoxypropan-1-ol
CID 145497919
3-(1-amino-2-methylnonan-2-yl)oxypropan-1-ol
CID 103377362
9-heptoxy-9-methylhenicosane
CID 91127088
(3S)-3-hydroperoxy-3-methylnonadecan-1-ol
CID 11163338
3-(3-ethoxy-3-methylpentoxy)-3-methylpentan-1-ol
CID 155151234
2-decoxy-2-methylbutan-1-ol
CID 152517276
5,6-dibutoxy-5,6-dimethyldecane
CID 152500539
1-chloro-3-iodo-2-methyl-2-propoxypropane
CID 114772009
2-[2-(5-methylundecan-5-yloxy)ethoxy]ethanol
CID 166943275
hafnium;2,2,2-tributoxyethanol
CID 175773541
5,5-dibutoxynonane
CID 89440038
carbanide;2,2-diheptoxypropan-1-ol;yttrium
CID 58517147

Frequently Asked Questions

What is the IUPAC name of 3-butoxy-4-iodo-3-methylbutan-1-ol?
The IUPAC name of 3-butoxy-4-iodo-3-methylbutan-1-ol (CID 88929319) is 3-butoxy-4-iodo-3-methylbutan-1-ol.
What is the SMILES notation for 3-butoxy-4-iodo-3-methylbutan-1-ol?
The canonical SMILES for 3-butoxy-4-iodo-3-methylbutan-1-ol is CCCCOC(C)(CI)CCO.
What is the InChIKey of 3-butoxy-4-iodo-3-methylbutan-1-ol?
The InChIKey is XUNSSPYMKKOFDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19IO2/c1-3-4-7-12-9(2,8-10)5-6-11/h11H,3-8H2,1-2H3.
What are the key properties of 3-butoxy-4-iodo-3-methylbutan-1-ol?
3-butoxy-4-iodo-3-methylbutan-1-ol has a molecular weight of 286.15 g/mol, XLogP of 2.38, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butoxy-4-iodo-3-methylbutan-1-ol is sourced from PubChem (CID 88929319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).