methyl (5R)-3-methylidene-5-(oxan-2-yloxy)decanoate

C17H30O4 — CID 71747222

IUPACmethyl (5R)-3-methylidene-5-(oxan-2-yloxy)decanoate
SMILESC=C(CC(=O)OC)C[C@@H](CCCCC)OC1CCCCO1
InChIInChI=1S/C17H30O4/c1-4-5-6-9-15(12-14(2)13-16(18)19-3)21-17-10-7-8-11-20-17/h15,17H,2,4-13H2,1,3H3/t15-,17?/m1/s1
InChIKeyUPJJCADIKXPDHF-LDCVWXEPSA-N
MW298.42 g/mol
LogP3.99
Rot. Bonds10

About methyl (5R)-3-methylidene-5-(oxan-2-yloxy)decanoate

methyl (5R)-3-methylidene-5-(oxan-2-yloxy)decanoate (PubChem CID 71747222) has the molecular formula C17H30O4 and a molecular weight of 298.42 g/mol. Its IUPAC name is methyl (5R)-3-methylidene-5-(oxan-2-yloxy)decanoate.

Molecular Properties

Compound Namemethyl (5R)-3-methylidene-5-(oxan-2-yloxy)decanoate
PubChem CID71747222
Molecular FormulaC17H30O4
Molecular Weight298.42 g/mol
Exact Mass298.21
IUPAC Namemethyl (5R)-3-methylidene-5-(oxan-2-yloxy)decanoate
SMILESC=C(CC(=O)OC)C[C@@H](CCCCC)OC1CCCCO1
InChIInChI=1S/C17H30O4/c1-4-5-6-9-15(12-14(2)13-16(18)19-3)21-17-10-7-8-11-20-17/h15,17H,2,4-13H2,1,3H3/t15-,17?/m1/s1
InChIKeyUPJJCADIKXPDHF-LDCVWXEPSA-N
XLogP3.99
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.42
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Propan-2-yl 5-(oxan-2-yloxy)oct-7-enoate
CID 14214412
Methyl 3-[(2s)-2-[(2r)-1,4-dioxaspiro[4.5]dec-2yl]-2-(methoxymethoxy)ethyl]but-3-enoate
CID 139210733
tert-butyl 2-[(4R,6R)-2,2-dimethyl-6-(2-methylprop-2-enyl)-1,3-dioxan-4-yl]acetate
CID 11471637
(4R,5S)-4-[(2S)-3-methyl-2-(oxan-2-yloxy)but-3-enyl]-5-(2-methylprop-2-enyl)oxolan-2-one
CID 23255219
[(4S)-undec-1-en-4-yl] (5R)-5-(oxan-2-yloxy)hept-6-enoate
CID 46210650
[(4R)-undec-1-en-4-yl] (5R)-5-(oxan-2-yloxy)hept-6-enoate
CID 46210803
methyl 3-[[(2R,3S,4R,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]methyl]but-3-enoate
CID 102115259
Methyl 3-(oxan-2-ylmethyl)but-3-enoate
CID 117268688

Frequently Asked Questions

What is the IUPAC name of methyl (5R)-3-methylidene-5-(oxan-2-yloxy)decanoate?
The IUPAC name of methyl (5R)-3-methylidene-5-(oxan-2-yloxy)decanoate (CID 71747222) is methyl (5R)-3-methylidene-5-(oxan-2-yloxy)decanoate.
What is the SMILES notation for methyl (5R)-3-methylidene-5-(oxan-2-yloxy)decanoate?
The canonical SMILES for methyl (5R)-3-methylidene-5-(oxan-2-yloxy)decanoate is C=C(CC(=O)OC)C[C@@H](CCCCC)OC1CCCCO1.
What is the InChIKey of methyl (5R)-3-methylidene-5-(oxan-2-yloxy)decanoate?
The InChIKey is UPJJCADIKXPDHF-LDCVWXEPSA-N. The full InChI is InChI=1S/C17H30O4/c1-4-5-6-9-15(12-14(2)13-16(18)19-3)21-17-10-7-8-11-20-17/h15,17H,2,4-13H2,1,3H3/t15-,17?/m1/s1.
What are the key properties of methyl (5R)-3-methylidene-5-(oxan-2-yloxy)decanoate?
methyl (5R)-3-methylidene-5-(oxan-2-yloxy)decanoate has a molecular weight of 298.42 g/mol, XLogP of 3.99, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (5R)-3-methylidene-5-(oxan-2-yloxy)decanoate is sourced from PubChem (CID 71747222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).