butyl 2-methylprop-2-enoate;hexyl 2-methylprop-2-enoate

C18H32O4 — CID 19882000

IUPACbutyl 2-methylprop-2-enoate;hexyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCC.C=C(C)C(=O)OCCCCCC
InChIInChI=1S/C10H18O2.C8H14O2/c1-4-5-6-7-8-12-10(11)9(2)3;1-4-5-6-10-8(9)7(2)3/h2,4-8H2,1,3H3;2,4-6H2,1,3H3
InChIKeyXYBGHTZJCPNGFW-UHFFFAOYSA-N
MW312.45 g/mol
LogP4.59
Rot. Bonds10

About butyl 2-methylprop-2-enoate;hexyl 2-methylprop-2-enoate

butyl 2-methylprop-2-enoate;hexyl 2-methylprop-2-enoate (PubChem CID 19882000) has the molecular formula C18H32O4 and a molecular weight of 312.45 g/mol. Its IUPAC name is butyl 2-methylprop-2-enoate;hexyl 2-methylprop-2-enoate.

Molecular Properties

Compound Namebutyl 2-methylprop-2-enoate;hexyl 2-methylprop-2-enoate
PubChem CID19882000
Molecular FormulaC18H32O4
Molecular Weight312.45 g/mol
Exact Mass312.23
IUPAC Namebutyl 2-methylprop-2-enoate;hexyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCC.C=C(C)C(=O)OCCCCCC
InChIInChI=1S/C10H18O2.C8H14O2/c1-4-5-6-7-8-12-10(11)9(2)3;1-4-5-6-10-8(9)7(2)3/h2,4-8H2,1,3H3;2,4-6H2,1,3H3
InChIKeyXYBGHTZJCPNGFW-UHFFFAOYSA-N
XLogP4.59
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.45
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

octatetracontyl 2-methylprop-2-enoate
CID 141233444
decyl 2-methylprop-2-enoate;dodecyl 2-methylprop-2-enoate;hexadecyl 2-methylprop-2-enoate;pentadecyl 2-methylprop-2-enoate;tetradecyl 2-methylprop-2-enoate;tridecyl 2-methylprop-2-enoate;undecyl 2-methylprop-2-enoate
CID 164995054
decyl 2-methylprop-2-enoate;dodecyl 2-methylprop-2-enoate;heptadecyl 2-methylprop-2-enoate;hexadecyl 2-methylprop-2-enoate;nonadecyl 2-methylprop-2-enoate;nonyl 2-methylprop-2-enoate;octadecyl 2-methylprop-2-enoate;pentadecyl 2-methylprop-2-enoate;tetradecyl 2-methylprop-2-enoate;tridecyl 2-methylprop-2-enoate;undecyl 2-methylprop-2-enoate
CID 161498189
dodecyl 2-methylprop-2-enoate;hexadecyl 2-methylprop-2-enoate;icosyl 2-methylprop-2-enoate;octadecyl 2-methylprop-2-enoate;tetradecyl 2-methylprop-2-enoate
CID 170851547
methane;nonyl 2-methylprop-2-enoate
CID 174847930
methane;tridecyl 2-methylprop-2-enoate
CID 174863529
dodecyl 2-methylprop-2-enoate;propyl 2-methylprop-2-enoate
CID 87150170
butyl 2-methylprop-2-enoate;1-methoxydodecane
CID 90869404
12-octoxydodecyl 2-methylprop-2-enoate
CID 139797904
dodecyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid
CID 18508448
5-pentoxypentyl 2-methylprop-2-enoate
CID 139797922
10-pentoxydecyl 2-methylprop-2-enoate
CID 139797940

Frequently Asked Questions

What is the IUPAC name of butyl 2-methylprop-2-enoate;hexyl 2-methylprop-2-enoate?
The IUPAC name of butyl 2-methylprop-2-enoate;hexyl 2-methylprop-2-enoate (CID 19882000) is butyl 2-methylprop-2-enoate;hexyl 2-methylprop-2-enoate.
What is the SMILES notation for butyl 2-methylprop-2-enoate;hexyl 2-methylprop-2-enoate?
The canonical SMILES for butyl 2-methylprop-2-enoate;hexyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCCC.C=C(C)C(=O)OCCCCCC.
What is the InChIKey of butyl 2-methylprop-2-enoate;hexyl 2-methylprop-2-enoate?
The InChIKey is XYBGHTZJCPNGFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2.C8H14O2/c1-4-5-6-7-8-12-10(11)9(2)3;1-4-5-6-10-8(9)7(2)3/h2,4-8H2,1,3H3;2,4-6H2,1,3H3.
What are the key properties of butyl 2-methylprop-2-enoate;hexyl 2-methylprop-2-enoate?
butyl 2-methylprop-2-enoate;hexyl 2-methylprop-2-enoate has a molecular weight of 312.45 g/mol, XLogP of 4.59, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 2-methylprop-2-enoate;hexyl 2-methylprop-2-enoate is sourced from PubChem (CID 19882000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).