ethenoxyethane;1-ethenoxypropane

C9H18O2 — CID 18522877

IUPACethenoxyethane;1-ethenoxypropane
SMILESC=COCC.C=COCCC
InChIInChI=1S/C5H10O.C4H8O/c1-3-5-6-4-2;1-3-5-4-2/h4H,2-3,5H2,1H3;3H,1,4H2,2H3
InChIKeyDAPWPZWTGMKVRQ-UHFFFAOYSA-N
MW158.24 g/mol
LogP2.72
Rot. Bonds5

About ethenoxyethane;1-ethenoxypropane

ethenoxyethane;1-ethenoxypropane (PubChem CID 18522877) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is ethenoxyethane;1-ethenoxypropane.

Molecular Properties

Compound Nameethenoxyethane;1-ethenoxypropane
PubChem CID18522877
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Nameethenoxyethane;1-ethenoxypropane
SMILESC=COCC.C=COCCC
InChIInChI=1S/C5H10O.C4H8O/c1-3-5-6-4-2;1-3-5-4-2/h4H,2-3,5H2,1H3;3H,1,4H2,2H3
InChIKeyDAPWPZWTGMKVRQ-UHFFFAOYSA-N
XLogP2.72
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 ethenoxyethane;1-ethenoxypropane?
The IUPAC name of ethenoxyethane;1-ethenoxypropane (CID 18522877) is ethenoxyethane;1-ethenoxypropane.
What is the SMILES notation for ethenoxyethane;1-ethenoxypropane?
The canonical SMILES for ethenoxyethane;1-ethenoxypropane is C=COCC.C=COCCC.
What is the InChIKey of ethenoxyethane;1-ethenoxypropane?
The InChIKey is DAPWPZWTGMKVRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O.C4H8O/c1-3-5-6-4-2;1-3-5-4-2/h4H,2-3,5H2,1H3;3H,1,4H2,2H3.
What are the key properties of ethenoxyethane;1-ethenoxypropane?
ethenoxyethane;1-ethenoxypropane has a molecular weight of 158.24 g/mol, XLogP of 2.72, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethenoxyethane;1-ethenoxypropane is sourced from PubChem (CID 18522877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).