3-(chloromethyl)-2-ethoxy-4-iodo-3-methoxypentane

C9H18ClIO2 — CID 129235282

IUPAC3-(chloromethyl)-2-ethoxy-4-iodo-3-methoxypentane
SMILESCCOC(C)C(CCl)(OC)C(C)I
InChIInChI=1S/C9H18ClIO2/c1-5-13-8(3)9(6-10,12-4)7(2)11/h7-8H,5-6H2,1-4H3
InChIKeyKSBIWAYKVMLCDE-UHFFFAOYSA-N
MW320.60 g/mol
LogP2.86
Rot. Bonds6

About 3-(chloromethyl)-2-ethoxy-4-iodo-3-methoxypentane

3-(chloromethyl)-2-ethoxy-4-iodo-3-methoxypentane (PubChem CID 129235282) has the molecular formula C9H18ClIO2 and a molecular weight of 320.60 g/mol. Its IUPAC name is 3-(chloromethyl)-2-ethoxy-4-iodo-3-methoxypentane.

Molecular Properties

Compound Name3-(chloromethyl)-2-ethoxy-4-iodo-3-methoxypentane
PubChem CID129235282
Molecular FormulaC9H18ClIO2
Molecular Weight320.60 g/mol
Exact Mass320.00
IUPAC Name3-(chloromethyl)-2-ethoxy-4-iodo-3-methoxypentane
SMILESCCOC(C)C(CCl)(OC)C(C)I
InChIInChI=1S/C9H18ClIO2/c1-5-13-8(3)9(6-10,12-4)7(2)11/h7-8H,5-6H2,1-4H3
InChIKeyKSBIWAYKVMLCDE-UHFFFAOYSA-N
XLogP2.86
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.60
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-ethyl-3-methoxy-2,4-dimethylpentane
CID 23384912
(1,2-diethoxy-1-silylpropyl)silane
CID 175503971
(3S)-3-ethoxy-2,2-dimethylpentane
CID 88893623
1,1-diethoxyethane
CID 7765
CID 23146675
CID 23146675
(4S)-2-ethoxy-4-methoxypentane
CID 88970287
4-ethyl-4-methoxy-5-methylhexan-3-ol
CID 23385015
1,1,1-trichloro-3-(1-ethoxyethoxy)propane
CID 173130931
N,N-bis[1-(1,1-dimethoxypropylphosphanyl)ethyl]-1-ethoxypropan-1-amine
CID 87358090
1,1-dimethoxyethane;1-ethoxy-1-methoxyethane
CID 175467857
1-ethoxy-1-methylsulfanylethane
CID 18710050
1,1-diethoxyethane;sulfane
CID 87563963

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-2-ethoxy-4-iodo-3-methoxypentane?
The IUPAC name of 3-(chloromethyl)-2-ethoxy-4-iodo-3-methoxypentane (CID 129235282) is 3-(chloromethyl)-2-ethoxy-4-iodo-3-methoxypentane.
What is the SMILES notation for 3-(chloromethyl)-2-ethoxy-4-iodo-3-methoxypentane?
The canonical SMILES for 3-(chloromethyl)-2-ethoxy-4-iodo-3-methoxypentane is CCOC(C)C(CCl)(OC)C(C)I.
What is the InChIKey of 3-(chloromethyl)-2-ethoxy-4-iodo-3-methoxypentane?
The InChIKey is KSBIWAYKVMLCDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18ClIO2/c1-5-13-8(3)9(6-10,12-4)7(2)11/h7-8H,5-6H2,1-4H3.
What are the key properties of 3-(chloromethyl)-2-ethoxy-4-iodo-3-methoxypentane?
3-(chloromethyl)-2-ethoxy-4-iodo-3-methoxypentane has a molecular weight of 320.60 g/mol, XLogP of 2.86, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-2-ethoxy-4-iodo-3-methoxypentane is sourced from PubChem (CID 129235282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).