prop-2-enyl (5R)-5-methyl-6-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]hexanoate

C18H34O5 — CID 157409922

IUPACprop-2-enyl (5R)-5-methyl-6-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]hexanoate
SMILESC=CCOC(=O)CCC[C@@H](C)COCCOCCOC(C)(C)C
InChIInChI=1S/C18H34O5/c1-6-10-22-17(19)9-7-8-16(2)15-21-12-11-20-13-14-23-18(3,4)5/h6,16H,1,7-15H2,2-5H3/t16-/m1/s1
InChIKeyBODVHCVQURRRMW-MRXNPFEDSA-N
MW330.47 g/mol
LogP3.37
Rot. Bonds14

About prop-2-enyl (5R)-5-methyl-6-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]hexanoate

prop-2-enyl (5R)-5-methyl-6-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]hexanoate (PubChem CID 157409922) has the molecular formula C18H34O5 and a molecular weight of 330.47 g/mol. Its IUPAC name is prop-2-enyl (5R)-5-methyl-6-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]hexanoate.

Molecular Properties

Compound Nameprop-2-enyl (5R)-5-methyl-6-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]hexanoate
PubChem CID157409922
Molecular FormulaC18H34O5
Molecular Weight330.47 g/mol
Exact Mass330.24
IUPAC Nameprop-2-enyl (5R)-5-methyl-6-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]hexanoate
SMILESC=CCOC(=O)CCC[C@@H](C)COCCOCCOC(C)(C)C
InChIInChI=1S/C18H34O5/c1-6-10-22-17(19)9-7-8-16(2)15-21-12-11-20-13-14-23-18(3,4)5/h6,16H,1,7-15H2,2-5H3/t16-/m1/s1
InChIKeyBODVHCVQURRRMW-MRXNPFEDSA-N
XLogP3.37
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of prop-2-enyl (5R)-5-methyl-6-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]hexanoate?
The IUPAC name of prop-2-enyl (5R)-5-methyl-6-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]hexanoate (CID 157409922) is prop-2-enyl (5R)-5-methyl-6-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]hexanoate.
What is the SMILES notation for prop-2-enyl (5R)-5-methyl-6-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]hexanoate?
The canonical SMILES for prop-2-enyl (5R)-5-methyl-6-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]hexanoate is C=CCOC(=O)CCC[C@@H](C)COCCOCCOC(C)(C)C.
What is the InChIKey of prop-2-enyl (5R)-5-methyl-6-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]hexanoate?
The InChIKey is BODVHCVQURRRMW-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H34O5/c1-6-10-22-17(19)9-7-8-16(2)15-21-12-11-20-13-14-23-18(3,4)5/h6,16H,1,7-15H2,2-5H3/t16-/m1/s1.
What are the key properties of prop-2-enyl (5R)-5-methyl-6-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]hexanoate?
prop-2-enyl (5R)-5-methyl-6-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]hexanoate has a molecular weight of 330.47 g/mol, XLogP of 3.37, 14 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl (5R)-5-methyl-6-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]hexanoate is sourced from PubChem (CID 157409922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).