methyl (Z)-4-(oxan-2-yl)but-3-enoate

C10H16O3 — CID 117267638

IUPACmethyl (Z)-4-(oxan-2-yl)but-3-enoate
SMILESCOC(=O)C/C=C\C1CCCCO1
InChIInChI=1S/C10H16O3/c1-12-10(11)7-4-6-9-5-2-3-8-13-9/h4,6,9H,2-3,5,7-8H2,1H3/b6-4-
InChIKeyQEDUHVFPWFGTPR-XQRVVYSFSA-N
MW184.23 g/mol
LogP1.67
Rot. Bonds3

About methyl (Z)-4-(oxan-2-yl)but-3-enoate

methyl (Z)-4-(oxan-2-yl)but-3-enoate (PubChem CID 117267638) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is methyl (Z)-4-(oxan-2-yl)but-3-enoate.

Molecular Properties

Compound Namemethyl (Z)-4-(oxan-2-yl)but-3-enoate
PubChem CID117267638
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Namemethyl (Z)-4-(oxan-2-yl)but-3-enoate
SMILESCOC(=O)C/C=C\C1CCCCO1
InChIInChI=1S/C10H16O3/c1-12-10(11)7-4-6-9-5-2-3-8-13-9/h4,6,9H,2-3,5,7-8H2,1H3/b6-4-
InChIKeyQEDUHVFPWFGTPR-XQRVVYSFSA-N
XLogP1.67
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 51.67
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

2-Hexenyl hexanoate, (2E)-
CID 5352973
Massoia Lactone
CID 642793
5-HYDROXY-2-DODECENOIC ACID delta-LACTONE
CID 61834
(+-)-Massoia lactone
CID 39914
6-propyl-5,6-dihydro-2H-pyran-2-one
CID 13949543
2-Cyclohexen-1-ol, 3-methyl-, acetate
CID 3018590
Hex-2-enyl hexanoate
CID 92572
(6R)-6-Nonyl-5,6-dihydro-2H-pyran-2-one
CID 11629959
1-Ethylhexyl propylphosphonofluoridoate
CID 6436647
1,5-Undecadien-4-ol, 4-acetate
CID 115849
(S)-(+)-Massoialactone
CID 404821
Umuravumbolide
CID 11161084

Frequently Asked Questions

What is the IUPAC name of methyl (Z)-4-(oxan-2-yl)but-3-enoate?
The IUPAC name of methyl (Z)-4-(oxan-2-yl)but-3-enoate (CID 117267638) is methyl (Z)-4-(oxan-2-yl)but-3-enoate.
What is the SMILES notation for methyl (Z)-4-(oxan-2-yl)but-3-enoate?
The canonical SMILES for methyl (Z)-4-(oxan-2-yl)but-3-enoate is COC(=O)C/C=C\C1CCCCO1.
What is the InChIKey of methyl (Z)-4-(oxan-2-yl)but-3-enoate?
The InChIKey is QEDUHVFPWFGTPR-XQRVVYSFSA-N. The full InChI is InChI=1S/C10H16O3/c1-12-10(11)7-4-6-9-5-2-3-8-13-9/h4,6,9H,2-3,5,7-8H2,1H3/b6-4-.
What are the key properties of methyl (Z)-4-(oxan-2-yl)but-3-enoate?
methyl (Z)-4-(oxan-2-yl)but-3-enoate has a molecular weight of 184.23 g/mol, XLogP of 1.67, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-4-(oxan-2-yl)but-3-enoate is sourced from PubChem (CID 117267638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).