6-carbamoyloxyhexyl carbamate;bis(ethenyl 2-methylprop-2-enoate)

C20H32N2O8 — CID 87949596

IUPAC6-carbamoyloxyhexyl carbamate;bis(ethenyl 2-methylprop-2-enoate)
SMILESC=COC(=O)C(=C)C.C=COC(=O)C(=C)C.NC(=O)OCCCCCCOC(N)=O
InChIInChI=1S/C8H16N2O4.2C6H8O2/c9-7(11)13-5-3-1-2-4-6-14-8(10)12;2*1-4-8-6(7)5(2)3/h1-6H2,(H2,9,11)(H2,10,12);2*4H,1-2H2,3H3
InChIKeyREQLBCSMKAZULV-UHFFFAOYSA-N
MW428.48 g/mol
LogP3.24
Rot. Bonds11

About 6-carbamoyloxyhexyl carbamate;bis(ethenyl 2-methylprop-2-enoate)

6-carbamoyloxyhexyl carbamate;bis(ethenyl 2-methylprop-2-enoate) (PubChem CID 87949596) has the molecular formula C20H32N2O8 and a molecular weight of 428.48 g/mol. Its IUPAC name is 6-carbamoyloxyhexyl carbamate;bis(ethenyl 2-methylprop-2-enoate).

Molecular Properties

Compound Name6-carbamoyloxyhexyl carbamate;bis(ethenyl 2-methylprop-2-enoate)
PubChem CID87949596
Molecular FormulaC20H32N2O8
Molecular Weight428.48 g/mol
Exact Mass428.22
IUPAC Name6-carbamoyloxyhexyl carbamate;bis(ethenyl 2-methylprop-2-enoate)
SMILESC=COC(=O)C(=C)C.C=COC(=O)C(=C)C.NC(=O)OCCCCCCOC(N)=O
InChIInChI=1S/C8H16N2O4.2C6H8O2/c9-7(11)13-5-3-1-2-4-6-14-8(10)12;2*1-4-8-6(7)5(2)3/h1-6H2,(H2,9,11)(H2,10,12);2*4H,1-2H2,3H3
InChIKeyREQLBCSMKAZULV-UHFFFAOYSA-N
XLogP3.24
TPSA157.24 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.48
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

ethenyl acetate;hexadecyl 2-methylprop-2-enoate
CID 174850858
ethenyl acetate;tetradecyl 2-methylprop-2-enoate
CID 175063005
ethenyl acetate;octadecyl 2-methylprop-2-enoate
CID 159374874
ethene;4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate;6-(2-methylprop-2-enoyloxy)hexyl 2-methylprop-2-enoate
CID 88685309
1,4-bis(ethenoxy)butane;4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate
CID 18006649
9-carbamoyloxynonyl carbamate
CID 87883969
bis[4-(2-methylprop-2-enoyloxy)butyl] oxalate
CID 118147382
2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;9-prop-2-enoyloxynonyl prop-2-enoate
CID 160866067
10-(2-methylprop-2-enoyloxy)decyl 2-methylprop-2-enoate;10-prop-2-enoyloxydecyl prop-2-enoate;12-prop-2-enoyloxydodecyl prop-2-enoate;2-prop-2-enoyloxyethyl prop-2-enoate
CID 162183490
ethenyl 2-methylprop-2-enoate isocyanate
CID 22239289
octadecyl (E)-2-methyl-3-(2-methylprop-2-enoyloxy)prop-2-enoate
CID 139632797
10-(3-methylbuta-1,3-dien-2-yloxy)decyl 2-methylprop-2-enoate
CID 176866150

Frequently Asked Questions

What is the IUPAC name of 6-carbamoyloxyhexyl carbamate;bis(ethenyl 2-methylprop-2-enoate)?
The IUPAC name of 6-carbamoyloxyhexyl carbamate;bis(ethenyl 2-methylprop-2-enoate) (CID 87949596) is 6-carbamoyloxyhexyl carbamate;bis(ethenyl 2-methylprop-2-enoate).
What is the SMILES notation for 6-carbamoyloxyhexyl carbamate;bis(ethenyl 2-methylprop-2-enoate)?
The canonical SMILES for 6-carbamoyloxyhexyl carbamate;bis(ethenyl 2-methylprop-2-enoate) is C=COC(=O)C(=C)C.C=COC(=O)C(=C)C.NC(=O)OCCCCCCOC(N)=O.
What is the InChIKey of 6-carbamoyloxyhexyl carbamate;bis(ethenyl 2-methylprop-2-enoate)?
The InChIKey is REQLBCSMKAZULV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O4.2C6H8O2/c9-7(11)13-5-3-1-2-4-6-14-8(10)12;2*1-4-8-6(7)5(2)3/h1-6H2,(H2,9,11)(H2,10,12);2*4H,1-2H2,3H3.
What are the key properties of 6-carbamoyloxyhexyl carbamate;bis(ethenyl 2-methylprop-2-enoate)?
6-carbamoyloxyhexyl carbamate;bis(ethenyl 2-methylprop-2-enoate) has a molecular weight of 428.48 g/mol, XLogP of 3.24, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-carbamoyloxyhexyl carbamate;bis(ethenyl 2-methylprop-2-enoate) is sourced from PubChem (CID 87949596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).