4-ethenoxybutan-1-ol;ethenoxycyclohexane

C14H26O3 — CID 70466375

IUPAC4-ethenoxybutan-1-ol;ethenoxycyclohexane
SMILESC=COC1CCCCC1.C=COCCCCO
InChIInChI=1S/C8H14O.C6H12O2/c1-2-9-8-6-4-3-5-7-8;1-2-8-6-4-3-5-7/h2,8H,1,3-7H2;2,7H,1,3-6H2
InChIKeyOUSACBXYDTWBQL-UHFFFAOYSA-N
MW242.36 g/mol
LogP3.40
Rot. Bonds7

About 4-ethenoxybutan-1-ol;ethenoxycyclohexane

4-ethenoxybutan-1-ol;ethenoxycyclohexane (PubChem CID 70466375) has the molecular formula C14H26O3 and a molecular weight of 242.36 g/mol. Its IUPAC name is 4-ethenoxybutan-1-ol;ethenoxycyclohexane.

Molecular Properties

Compound Name4-ethenoxybutan-1-ol;ethenoxycyclohexane
PubChem CID70466375
Molecular FormulaC14H26O3
Molecular Weight242.36 g/mol
Exact Mass242.19
IUPAC Name4-ethenoxybutan-1-ol;ethenoxycyclohexane
SMILESC=COC1CCCCC1.C=COCCCCO
InChIInChI=1S/C8H14O.C6H12O2/c1-2-9-8-6-4-3-5-7-8;1-2-8-6-4-3-5-7/h2,8H,1,3-7H2;2,7H,1,3-6H2
InChIKeyOUSACBXYDTWBQL-UHFFFAOYSA-N
XLogP3.40
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-ethenoxybutan-1-ol;ethenoxycyclohexane?
The IUPAC name of 4-ethenoxybutan-1-ol;ethenoxycyclohexane (CID 70466375) is 4-ethenoxybutan-1-ol;ethenoxycyclohexane.
What is the SMILES notation for 4-ethenoxybutan-1-ol;ethenoxycyclohexane?
The canonical SMILES for 4-ethenoxybutan-1-ol;ethenoxycyclohexane is C=COC1CCCCC1.C=COCCCCO.
What is the InChIKey of 4-ethenoxybutan-1-ol;ethenoxycyclohexane?
The InChIKey is OUSACBXYDTWBQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O.C6H12O2/c1-2-9-8-6-4-3-5-7-8;1-2-8-6-4-3-5-7/h2,8H,1,3-7H2;2,7H,1,3-6H2.
What are the key properties of 4-ethenoxybutan-1-ol;ethenoxycyclohexane?
4-ethenoxybutan-1-ol;ethenoxycyclohexane has a molecular weight of 242.36 g/mol, XLogP of 3.40, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenoxybutan-1-ol;ethenoxycyclohexane is sourced from PubChem (CID 70466375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).