2,4-bis(2-methoxyethyl)cyclobutane-1,3-diolate;bis(N,N-dimethylmethanamine);ethane;methane

C22H56N2O4-2 — CID 159008192

IUPAC2,4-bis(2-methoxyethyl)cyclobutane-1,3-diolate;bis(N,N-dimethylmethanamine);ethane;methane
SMILESC.C.CC.CC.CN(C)C.CN(C)C.COCCC1C([O-])C(CCOC)C1[O-]
InChIInChI=1S/C10H18O4.2C3H9N.2C2H6.2CH4/c1-13-5-3-7-9(11)8(10(7)12)4-6-14-2;2*1-4(2)3;2*1-2;;/h7-10H,3-6H2,1-2H3;2*1-3H3;2*1-2H3;2*1H4/q-2;;;;;;
InChIKeyDDRRSYXACNCITK-UHFFFAOYSA-N
MW412.70 g/mol
LogP2.44
Rot. Bonds6

About 2,4-bis(2-methoxyethyl)cyclobutane-1,3-diolate;bis(N,N-dimethylmethanamine);ethane;methane

2,4-bis(2-methoxyethyl)cyclobutane-1,3-diolate;bis(N,N-dimethylmethanamine);ethane;methane (PubChem CID 159008192) has the molecular formula C22H56N2O4-2 and a molecular weight of 412.70 g/mol. Its IUPAC name is 2,4-bis(2-methoxyethyl)cyclobutane-1,3-diolate;bis(N,N-dimethylmethanamine);ethane;methane.

Molecular Properties

Compound Name2,4-bis(2-methoxyethyl)cyclobutane-1,3-diolate;bis(N,N-dimethylmethanamine);ethane;methane
PubChem CID159008192
Molecular FormulaC22H56N2O4-2
Molecular Weight412.70 g/mol
Exact Mass412.43
IUPAC Name2,4-bis(2-methoxyethyl)cyclobutane-1,3-diolate;bis(N,N-dimethylmethanamine);ethane;methane
SMILESC.C.CC.CC.CN(C)C.CN(C)C.COCCC1C([O-])C(CCOC)C1[O-]
InChIInChI=1S/C10H18O4.2C3H9N.2C2H6.2CH4/c1-13-5-3-7-9(11)8(10(7)12)4-6-14-2;2*1-4(2)3;2*1-2;;/h7-10H,3-6H2,1-2H3;2*1-3H3;2*1-2H3;2*1H4/q-2;;;;;;
InChIKeyDDRRSYXACNCITK-UHFFFAOYSA-N
XLogP2.44
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.70
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,4-bis(2-methoxyethyl)cyclobutane-1,3-diolate;bis(N,N-dimethylmethanamine);ethane;methane?
The IUPAC name of 2,4-bis(2-methoxyethyl)cyclobutane-1,3-diolate;bis(N,N-dimethylmethanamine);ethane;methane (CID 159008192) is 2,4-bis(2-methoxyethyl)cyclobutane-1,3-diolate;bis(N,N-dimethylmethanamine);ethane;methane.
What is the SMILES notation for 2,4-bis(2-methoxyethyl)cyclobutane-1,3-diolate;bis(N,N-dimethylmethanamine);ethane;methane?
The canonical SMILES for 2,4-bis(2-methoxyethyl)cyclobutane-1,3-diolate;bis(N,N-dimethylmethanamine);ethane;methane is C.C.CC.CC.CN(C)C.CN(C)C.COCCC1C([O-])C(CCOC)C1[O-].
What is the InChIKey of 2,4-bis(2-methoxyethyl)cyclobutane-1,3-diolate;bis(N,N-dimethylmethanamine);ethane;methane?
The InChIKey is DDRRSYXACNCITK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4.2C3H9N.2C2H6.2CH4/c1-13-5-3-7-9(11)8(10(7)12)4-6-14-2;2*1-4(2)3;2*1-2;;/h7-10H,3-6H2,1-2H3;2*1-3H3;2*1-2H3;2*1H4/q-2;;;;;;.
What are the key properties of 2,4-bis(2-methoxyethyl)cyclobutane-1,3-diolate;bis(N,N-dimethylmethanamine);ethane;methane?
2,4-bis(2-methoxyethyl)cyclobutane-1,3-diolate;bis(N,N-dimethylmethanamine);ethane;methane has a molecular weight of 412.70 g/mol, XLogP of 2.44, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(2-methoxyethyl)cyclobutane-1,3-diolate;bis(N,N-dimethylmethanamine);ethane;methane is sourced from PubChem (CID 159008192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).