1-[(Z)-prop-1-enoxy]hexane

C9H18O — CID 88652245

IUPAC1-[(Z)-prop-1-enoxy]hexane
SMILESC/C=C\OCCCCCC
InChIInChI=1S/C9H18O/c1-3-5-6-7-9-10-8-4-2/h4,8H,3,5-7,9H2,1-2H3/b8-4-
InChIKeyCWLCAARCOJSNGN-YWEYNIOJSA-N
MW142.24 g/mol
LogP3.12
Rot. Bonds6

About 1-[(Z)-prop-1-enoxy]hexane

1-[(Z)-prop-1-enoxy]hexane (PubChem CID 88652245) has the molecular formula C9H18O and a molecular weight of 142.24 g/mol. Its IUPAC name is 1-[(Z)-prop-1-enoxy]hexane.

Molecular Properties

Compound Name1-[(Z)-prop-1-enoxy]hexane
PubChem CID88652245
Molecular FormulaC9H18O
Molecular Weight142.24 g/mol
Exact Mass142.14
IUPAC Name1-[(Z)-prop-1-enoxy]hexane
SMILESC/C=C\OCCCCCC
InChIInChI=1S/C9H18O/c1-3-5-6-7-9-10-8-4-2/h4,8H,3,5-7,9H2,1-2H3/b8-4-
InChIKeyCWLCAARCOJSNGN-YWEYNIOJSA-N
XLogP3.12
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.24
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 1-[(Z)-prop-1-enoxy]hexane?
The IUPAC name of 1-[(Z)-prop-1-enoxy]hexane (CID 88652245) is 1-[(Z)-prop-1-enoxy]hexane.
What is the SMILES notation for 1-[(Z)-prop-1-enoxy]hexane?
The canonical SMILES for 1-[(Z)-prop-1-enoxy]hexane is C/C=C\OCCCCCC.
What is the InChIKey of 1-[(Z)-prop-1-enoxy]hexane?
The InChIKey is CWLCAARCOJSNGN-YWEYNIOJSA-N. The full InChI is InChI=1S/C9H18O/c1-3-5-6-7-9-10-8-4-2/h4,8H,3,5-7,9H2,1-2H3/b8-4-.
What are the key properties of 1-[(Z)-prop-1-enoxy]hexane?
1-[(Z)-prop-1-enoxy]hexane has a molecular weight of 142.24 g/mol, XLogP of 3.12, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-prop-1-enoxy]hexane is sourced from PubChem (CID 88652245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).