1,2-diethyl-3-[(Z)-3-prop-2-enoxyprop-2-enyl]benzene

C16H22O — CID 142951227

IUPAC1,2-diethyl-3-[(Z)-3-prop-2-enoxyprop-2-enyl]benzene
SMILESC=CCO/C=C\Cc1cccc(CC)c1CC
InChIInChI=1S/C16H22O/c1-4-12-17-13-8-11-15-10-7-9-14(5-2)16(15)6-3/h4,7-10,13H,1,5-6,11-12H2,2-3H3/b13-8-
InChIKeySKLOHCNJEIWIRS-JYRVWZFOSA-N
MW230.35 g/mol
LogP4.07
Rot. Bonds7

About 1,2-diethyl-3-[(Z)-3-prop-2-enoxyprop-2-enyl]benzene

1,2-diethyl-3-[(Z)-3-prop-2-enoxyprop-2-enyl]benzene (PubChem CID 142951227) has the molecular formula C16H22O and a molecular weight of 230.35 g/mol. Its IUPAC name is 1,2-diethyl-3-[(Z)-3-prop-2-enoxyprop-2-enyl]benzene.

Molecular Properties

Compound Name1,2-diethyl-3-[(Z)-3-prop-2-enoxyprop-2-enyl]benzene
PubChem CID142951227
Molecular FormulaC16H22O
Molecular Weight230.35 g/mol
Exact Mass230.17
IUPAC Name1,2-diethyl-3-[(Z)-3-prop-2-enoxyprop-2-enyl]benzene
SMILESC=CCO/C=C\Cc1cccc(CC)c1CC
InChIInChI=1S/C16H22O/c1-4-12-17-13-8-11-15-10-7-9-14(5-2)16(15)6-3/h4,7-10,13H,1,5-6,11-12H2,2-3H3/b13-8-
InChIKeySKLOHCNJEIWIRS-JYRVWZFOSA-N
XLogP4.07
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 54.07
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,2-diethyl-3-[(Z)-3-prop-2-enoxyprop-2-enyl]benzene?
The IUPAC name of 1,2-diethyl-3-[(Z)-3-prop-2-enoxyprop-2-enyl]benzene (CID 142951227) is 1,2-diethyl-3-[(Z)-3-prop-2-enoxyprop-2-enyl]benzene.
What is the SMILES notation for 1,2-diethyl-3-[(Z)-3-prop-2-enoxyprop-2-enyl]benzene?
The canonical SMILES for 1,2-diethyl-3-[(Z)-3-prop-2-enoxyprop-2-enyl]benzene is C=CCO/C=C\Cc1cccc(CC)c1CC.
What is the InChIKey of 1,2-diethyl-3-[(Z)-3-prop-2-enoxyprop-2-enyl]benzene?
The InChIKey is SKLOHCNJEIWIRS-JYRVWZFOSA-N. The full InChI is InChI=1S/C16H22O/c1-4-12-17-13-8-11-15-10-7-9-14(5-2)16(15)6-3/h4,7-10,13H,1,5-6,11-12H2,2-3H3/b13-8-.
What are the key properties of 1,2-diethyl-3-[(Z)-3-prop-2-enoxyprop-2-enyl]benzene?
1,2-diethyl-3-[(Z)-3-prop-2-enoxyprop-2-enyl]benzene has a molecular weight of 230.35 g/mol, XLogP of 4.07, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diethyl-3-[(Z)-3-prop-2-enoxyprop-2-enyl]benzene is sourced from PubChem (CID 142951227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).