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

C7H14O — CID 12615635

IUPAC1-[(Z)-prop-1-enoxy]butane
SMILESC/C=C\OCCCC
InChIInChI=1S/C7H14O/c1-3-5-7-8-6-4-2/h4,6H,3,5,7H2,1-2H3/b6-4-
InChIKeyPNKQANLVRCMVPD-XQRVVYSFSA-N
MW114.19 g/mol
LogP2.34
Rot. Bonds4

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

1-[(Z)-prop-1-enoxy]butane (PubChem CID 12615635) has the molecular formula C7H14O and a molecular weight of 114.19 g/mol. Its IUPAC name is 1-[(Z)-prop-1-enoxy]butane.

Molecular Properties

Compound Name1-[(Z)-prop-1-enoxy]butane
PubChem CID12615635
Molecular FormulaC7H14O
Molecular Weight114.19 g/mol
Exact Mass114.10
IUPAC Name1-[(Z)-prop-1-enoxy]butane
SMILESC/C=C\OCCCC
InChIInChI=1S/C7H14O/c1-3-5-7-8-6-4-2/h4,6H,3,5,7H2,1-2H3/b6-4-
InChIKeyPNKQANLVRCMVPD-XQRVVYSFSA-N
XLogP2.34
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.19
LogP ≤ 52.34
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]butane?
The IUPAC name of 1-[(Z)-prop-1-enoxy]butane (CID 12615635) is 1-[(Z)-prop-1-enoxy]butane.
What is the SMILES notation for 1-[(Z)-prop-1-enoxy]butane?
The canonical SMILES for 1-[(Z)-prop-1-enoxy]butane is C/C=C\OCCCC.
What is the InChIKey of 1-[(Z)-prop-1-enoxy]butane?
The InChIKey is PNKQANLVRCMVPD-XQRVVYSFSA-N. The full InChI is InChI=1S/C7H14O/c1-3-5-7-8-6-4-2/h4,6H,3,5,7H2,1-2H3/b6-4-.
What are the key properties of 1-[(Z)-prop-1-enoxy]butane?
1-[(Z)-prop-1-enoxy]butane has a molecular weight of 114.19 g/mol, XLogP of 2.34, 4 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]butane is sourced from PubChem (CID 12615635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).