ethene;ethyl 2-propylpentanoate

C12H24O2 — CID 160741230

IUPACethene;ethyl 2-propylpentanoate
SMILESC=C.CCCC(CCC)C(=O)OCC
InChIInChI=1S/C10H20O2.C2H4/c1-4-7-9(8-5-2)10(11)12-6-3;1-2/h9H,4-8H2,1-3H3;1-2H2
InChIKeyRVPNACJSPWZWPM-UHFFFAOYSA-N
MW200.32 g/mol
LogP3.57
Rot. Bonds6

About ethene;ethyl 2-propylpentanoate

ethene;ethyl 2-propylpentanoate (PubChem CID 160741230) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is ethene;ethyl 2-propylpentanoate.

Molecular Properties

Compound Nameethene;ethyl 2-propylpentanoate
PubChem CID160741230
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Nameethene;ethyl 2-propylpentanoate
SMILESC=C.CCCC(CCC)C(=O)OCC
InChIInChI=1S/C10H20O2.C2H4/c1-4-7-9(8-5-2)10(11)12-6-3;1-2/h9H,4-8H2,1-3H3;1-2H2
InChIKeyRVPNACJSPWZWPM-UHFFFAOYSA-N
XLogP3.57
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-(ethoxymethyl)pentanoate
CID 140987301
ethyl 2-(methoxymethyl)pentanoate
CID 141084723
2-propylpentanoyl 2-propylpentanoate
CID 10923624
ethyl 2-propyl-5-sulfanylidenehexanoate
CID 174809419
ethyl 2-propyloct-5-enoate
CID 140550038
ethyl 2-dodecyltetradecanoate
CID 125289764
ethyl 2-hexyloctanoate
CID 18373010
silyl 2-propylpentanoate
CID 123713518
ethyl 2-(3-hydroxypropyl)octanoate
CID 57193425
ethyl 2-ethylbutanoate;λ2-stannane
CID 175348208
ethyl 2-propyloctadec-5-enoate
CID 91292288
ethyl 2-propyltetradec-5-enoate
CID 154049027

Frequently Asked Questions

What is the IUPAC name of ethene;ethyl 2-propylpentanoate?
The IUPAC name of ethene;ethyl 2-propylpentanoate (CID 160741230) is ethene;ethyl 2-propylpentanoate.
What is the SMILES notation for ethene;ethyl 2-propylpentanoate?
The canonical SMILES for ethene;ethyl 2-propylpentanoate is C=C.CCCC(CCC)C(=O)OCC.
What is the InChIKey of ethene;ethyl 2-propylpentanoate?
The InChIKey is RVPNACJSPWZWPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2.C2H4/c1-4-7-9(8-5-2)10(11)12-6-3;1-2/h9H,4-8H2,1-3H3;1-2H2.
What are the key properties of ethene;ethyl 2-propylpentanoate?
ethene;ethyl 2-propylpentanoate has a molecular weight of 200.32 g/mol, XLogP of 3.57, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;ethyl 2-propylpentanoate is sourced from PubChem (CID 160741230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).