4-but-3-enoxy-2-pentyloxane

C14H26O2 — CID 101023617

IUPAC4-but-3-enoxy-2-pentyloxane
SMILESC=CCCOC1CCOC(CCCCC)C1
InChIInChI=1S/C14H26O2/c1-3-5-7-8-13-12-14(9-11-16-13)15-10-6-4-2/h4,13-14H,2-3,5-12H2,1H3
InChIKeyICHKPHOBMNIYDR-UHFFFAOYSA-N
MW226.36 g/mol
LogP3.71
Rot. Bonds8

About 4-but-3-enoxy-2-pentyloxane

4-but-3-enoxy-2-pentyloxane (PubChem CID 101023617) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is 4-but-3-enoxy-2-pentyloxane.

Molecular Properties

Compound Name4-but-3-enoxy-2-pentyloxane
PubChem CID101023617
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Name4-but-3-enoxy-2-pentyloxane
SMILESC=CCCOC1CCOC(CCCCC)C1
InChIInChI=1S/C14H26O2/c1-3-5-7-8-13-12-14(9-11-16-13)15-10-6-4-2/h4,13-14H,2-3,5-12H2,1H3
InChIKeyICHKPHOBMNIYDR-UHFFFAOYSA-N
XLogP3.71
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

2-(Prop-2-en-1-yl)oxane
CID 10866337
4-Methoxy dec-1-ene
CID 11829889
1-Undecene, 4-methoxy-
CID 10261807
4-Methoxy-1-dodecene
CID 10420283
(2R)-2-(Prop-2-en-1-yl)oxane
CID 71368402
(4S)-4-methoxyundec-1-ene
CID 53329273
(2S,6S)-2-pentyl-6-prop-2-enyloxane
CID 10512105
(2S,4R,6S)-4-methoxy-2-methyl-6-prop-2-enyloxane
CID 11105800
1-But-3-enoxyoctane
CID 15782081
(4R,6S)-2,2-dimethyl-4-pentyl-6-prop-2-enyl-1,3-dioxane
CID 54576110
(2S,6R)-2,6-bis(prop-2-enyl)oxan-4-ol
CID 101557863
(4S,6R)-4-hexyl-2,2-dimethyl-6-prop-2-enyl-1,3-dioxane
CID 134905780

Frequently Asked Questions

What is the IUPAC name of 4-but-3-enoxy-2-pentyloxane?
The IUPAC name of 4-but-3-enoxy-2-pentyloxane (CID 101023617) is 4-but-3-enoxy-2-pentyloxane.
What is the SMILES notation for 4-but-3-enoxy-2-pentyloxane?
The canonical SMILES for 4-but-3-enoxy-2-pentyloxane is C=CCCOC1CCOC(CCCCC)C1.
What is the InChIKey of 4-but-3-enoxy-2-pentyloxane?
The InChIKey is ICHKPHOBMNIYDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2/c1-3-5-7-8-13-12-14(9-11-16-13)15-10-6-4-2/h4,13-14H,2-3,5-12H2,1H3.
What are the key properties of 4-but-3-enoxy-2-pentyloxane?
4-but-3-enoxy-2-pentyloxane has a molecular weight of 226.36 g/mol, XLogP of 3.71, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-but-3-enoxy-2-pentyloxane is sourced from PubChem (CID 101023617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).