methyl (Z)-5-(oxan-3-yl)pent-3-enoate

C11H18O3 — CID 117267802

IUPACmethyl (Z)-5-(oxan-3-yl)pent-3-enoate
SMILESCOC(=O)C/C=C\CC1CCCOC1
InChIInChI=1S/C11H18O3/c1-13-11(12)7-3-2-5-10-6-4-8-14-9-10/h2-3,10H,4-9H2,1H3/b3-2-
InChIKeyLLGFXYUQRZMGCQ-IHWYPQMZSA-N
MW198.26 g/mol
LogP1.92
Rot. Bonds4

About methyl (Z)-5-(oxan-3-yl)pent-3-enoate

methyl (Z)-5-(oxan-3-yl)pent-3-enoate (PubChem CID 117267802) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is methyl (Z)-5-(oxan-3-yl)pent-3-enoate.

Molecular Properties

Compound Namemethyl (Z)-5-(oxan-3-yl)pent-3-enoate
PubChem CID117267802
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Namemethyl (Z)-5-(oxan-3-yl)pent-3-enoate
SMILESCOC(=O)C/C=C\CC1CCCOC1
InChIInChI=1S/C11H18O3/c1-13-11(12)7-3-2-5-10-6-4-8-14-9-10/h2-3,10H,4-9H2,1H3/b3-2-
InChIKeyLLGFXYUQRZMGCQ-IHWYPQMZSA-N
XLogP1.92
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-[methyl(oxan-3-ylmethyl)amino]butanoate
CID 63713446
1-(oxan-3-yl)butan-2-one
CID 103847209
methyl 2-(oxan-3-ylamino)acetate
CID 63364006
methyl (Z)-5-(1-propan-2-ylpyrrolidin-3-yl)pent-3-enoate
CID 117267442
3-[(Z)-3-isocyanatoprop-2-enyl]oxane
CID 117267057
1-cyclopentyl-N-(oxan-3-ylmethyl)methanamine
CID 61342622
methyl 4-amino-3-(oxan-3-yl)butanoate
CID 66096417
methyl (Z)-4-(oxan-2-yl)but-3-enoate
CID 117267638
1-[(3S)-oxan-3-yl]-N-[[(3S)-oxan-3-yl]methyl]methanamine
CID 129371205
methyl 2-(oxan-3-ylmethylamino)butanoate
CID 115353202
methyl 2-bromo-3-(oxan-3-ylmethylamino)propanoate
CID 103242246
2-methoxy-N-methyl-N-(oxan-3-ylmethyl)propanamide
CID 115618168

Frequently Asked Questions

What is the IUPAC name of methyl (Z)-5-(oxan-3-yl)pent-3-enoate?
The IUPAC name of methyl (Z)-5-(oxan-3-yl)pent-3-enoate (CID 117267802) is methyl (Z)-5-(oxan-3-yl)pent-3-enoate.
What is the SMILES notation for methyl (Z)-5-(oxan-3-yl)pent-3-enoate?
The canonical SMILES for methyl (Z)-5-(oxan-3-yl)pent-3-enoate is COC(=O)C/C=C\CC1CCCOC1.
What is the InChIKey of methyl (Z)-5-(oxan-3-yl)pent-3-enoate?
The InChIKey is LLGFXYUQRZMGCQ-IHWYPQMZSA-N. The full InChI is InChI=1S/C11H18O3/c1-13-11(12)7-3-2-5-10-6-4-8-14-9-10/h2-3,10H,4-9H2,1H3/b3-2-.
What are the key properties of methyl (Z)-5-(oxan-3-yl)pent-3-enoate?
methyl (Z)-5-(oxan-3-yl)pent-3-enoate has a molecular weight of 198.26 g/mol, XLogP of 1.92, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-5-(oxan-3-yl)pent-3-enoate is sourced from PubChem (CID 117267802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).