2-(chloromethyl)-3-[2-[2-[2-(chloromethyl)prop-2-enoxy]ethoxy]ethoxy]prop-1-ene

C12H20Cl2O3 — CID 121001046

IUPAC2-(chloromethyl)-3-[2-[2-[2-(chloromethyl)prop-2-enoxy]ethoxy]ethoxy]prop-1-ene
SMILESC=C(CCl)COCCOCCOCC(=C)CCl
InChIInChI=1S/C12H20Cl2O3/c1-11(7-13)9-16-5-3-15-4-6-17-10-12(2)8-14/h1-10H2
InChIKeyYTGMQKKTTZEEIP-UHFFFAOYSA-N
MW283.19 g/mol
LogP2.63
Rot. Bonds12

About 2-(chloromethyl)-3-[2-[2-[2-(chloromethyl)prop-2-enoxy]ethoxy]ethoxy]prop-1-ene

2-(chloromethyl)-3-[2-[2-[2-(chloromethyl)prop-2-enoxy]ethoxy]ethoxy]prop-1-ene (PubChem CID 121001046) has the molecular formula C12H20Cl2O3 and a molecular weight of 283.19 g/mol. Its IUPAC name is 2-(chloromethyl)-3-[2-[2-[2-(chloromethyl)prop-2-enoxy]ethoxy]ethoxy]prop-1-ene.

Molecular Properties

Compound Name2-(chloromethyl)-3-[2-[2-[2-(chloromethyl)prop-2-enoxy]ethoxy]ethoxy]prop-1-ene
PubChem CID121001046
Molecular FormulaC12H20Cl2O3
Molecular Weight283.19 g/mol
Exact Mass282.08
IUPAC Name2-(chloromethyl)-3-[2-[2-[2-(chloromethyl)prop-2-enoxy]ethoxy]ethoxy]prop-1-ene
SMILESC=C(CCl)COCCOCCOCC(=C)CCl
InChIInChI=1S/C12H20Cl2O3/c1-11(7-13)9-16-5-3-15-4-6-17-10-12(2)8-14/h1-10H2
InChIKeyYTGMQKKTTZEEIP-UHFFFAOYSA-N
XLogP2.63
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.19
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(chloromethyl)-3-(2-ethoxyethoxy)prop-1-ene
CID 103065980
2-(chloromethyl)-3-(2-methoxyethoxy)prop-1-ene
CID 10888272
2-(chloromethyl)-3-(2,2-difluoroethoxy)prop-1-ene
CID 103066179
3-(2-iodoethoxy)-2-(2-iodoethoxymethyl)prop-1-ene
CID 11741430
2-(2-hydroxyethoxymethyl)prop-2-en-1-ol
CID 142282066
2-[2-[2-[(2-chloroacetyl)amino]ethoxy]ethoxy]acetic acid
CID 163273323
2-(butan-2-yloxymethyl)-3-chloroprop-1-ene
CID 103066077
2-[2-[2-[2-(2-methylprop-2-enoxy)ethoxy]ethoxy]ethoxy]ethanol
CID 12693581
2-(chloromethyl)-10-[9-(chloromethyl)dec-9-enoxymethoxymethoxy]dec-1-ene
CID 139714619
1-[2-[2-(2-chloroethoxy)ethoxy]ethoxy]-2-[2-[2-[2-(2-chloroethoxy)ethoxy]ethoxy]ethoxy]ethane
CID 13072765
1-[2-(heptoxymethyl)prop-2-enoxy]heptane
CID 138543680
2-[2-[2-[2-(2-chloroethoxy)ethoxy]ethoxy]ethoxy]prop-1-ene
CID 139925927

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-3-[2-[2-[2-(chloromethyl)prop-2-enoxy]ethoxy]ethoxy]prop-1-ene?
The IUPAC name of 2-(chloromethyl)-3-[2-[2-[2-(chloromethyl)prop-2-enoxy]ethoxy]ethoxy]prop-1-ene (CID 121001046) is 2-(chloromethyl)-3-[2-[2-[2-(chloromethyl)prop-2-enoxy]ethoxy]ethoxy]prop-1-ene.
What is the SMILES notation for 2-(chloromethyl)-3-[2-[2-[2-(chloromethyl)prop-2-enoxy]ethoxy]ethoxy]prop-1-ene?
The canonical SMILES for 2-(chloromethyl)-3-[2-[2-[2-(chloromethyl)prop-2-enoxy]ethoxy]ethoxy]prop-1-ene is C=C(CCl)COCCOCCOCC(=C)CCl.
What is the InChIKey of 2-(chloromethyl)-3-[2-[2-[2-(chloromethyl)prop-2-enoxy]ethoxy]ethoxy]prop-1-ene?
The InChIKey is YTGMQKKTTZEEIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20Cl2O3/c1-11(7-13)9-16-5-3-15-4-6-17-10-12(2)8-14/h1-10H2.
What are the key properties of 2-(chloromethyl)-3-[2-[2-[2-(chloromethyl)prop-2-enoxy]ethoxy]ethoxy]prop-1-ene?
2-(chloromethyl)-3-[2-[2-[2-(chloromethyl)prop-2-enoxy]ethoxy]ethoxy]prop-1-ene has a molecular weight of 283.19 g/mol, XLogP of 2.63, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-3-[2-[2-[2-(chloromethyl)prop-2-enoxy]ethoxy]ethoxy]prop-1-ene is sourced from PubChem (CID 121001046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).