ethane;ethene;4-[(Z,4Z)-4-ethylidenehept-5-enyl]morpholine

C21H45NO — CID 145472464

IUPACethane;ethene;4-[(Z,4Z)-4-ethylidenehept-5-enyl]morpholine
SMILESC/C=C\C(=C/C)CCCN1CCOCC1.C=C.CC.CC.CC
InChIInChI=1S/C13H23NO.3C2H6.C2H4/c1-3-6-13(4-2)7-5-8-14-9-11-15-12-10-14;4*1-2/h3-4,6H,5,7-12H2,1-2H3;3*1-2H3;1-2H2/b6-3-,13-4+;;;;
InChIKeyBMVBDTSXODMGJC-HUEXPVEHSA-N
MW327.60 g/mol
LogP6.50
Rot. Bonds5

About ethane;ethene;4-[(Z,4Z)-4-ethylidenehept-5-enyl]morpholine

ethane;ethene;4-[(Z,4Z)-4-ethylidenehept-5-enyl]morpholine (PubChem CID 145472464) has the molecular formula C21H45NO and a molecular weight of 327.60 g/mol. Its IUPAC name is ethane;ethene;4-[(Z,4Z)-4-ethylidenehept-5-enyl]morpholine.

Molecular Properties

Compound Nameethane;ethene;4-[(Z,4Z)-4-ethylidenehept-5-enyl]morpholine
PubChem CID145472464
Molecular FormulaC21H45NO
Molecular Weight327.60 g/mol
Exact Mass327.35
IUPAC Nameethane;ethene;4-[(Z,4Z)-4-ethylidenehept-5-enyl]morpholine
SMILESC/C=C\C(=C/C)CCCN1CCOCC1.C=C.CC.CC.CC
InChIInChI=1S/C13H23NO.3C2H6.C2H4/c1-3-6-13(4-2)7-5-8-14-9-11-15-12-10-14;4*1-2/h3-4,6H,5,7-12H2,1-2H3;3*1-2H3;1-2H2/b6-3-,13-4+;;;;
InChIKeyBMVBDTSXODMGJC-HUEXPVEHSA-N
XLogP6.50
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.60
LogP ≤ 56.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;ethene;4-[(Z,4Z)-4-ethylidenehept-5-enyl]morpholine?
The IUPAC name of ethane;ethene;4-[(Z,4Z)-4-ethylidenehept-5-enyl]morpholine (CID 145472464) is ethane;ethene;4-[(Z,4Z)-4-ethylidenehept-5-enyl]morpholine.
What is the SMILES notation for ethane;ethene;4-[(Z,4Z)-4-ethylidenehept-5-enyl]morpholine?
The canonical SMILES for ethane;ethene;4-[(Z,4Z)-4-ethylidenehept-5-enyl]morpholine is C/C=C\C(=C/C)CCCN1CCOCC1.C=C.CC.CC.CC.
What is the InChIKey of ethane;ethene;4-[(Z,4Z)-4-ethylidenehept-5-enyl]morpholine?
The InChIKey is BMVBDTSXODMGJC-HUEXPVEHSA-N. The full InChI is InChI=1S/C13H23NO.3C2H6.C2H4/c1-3-6-13(4-2)7-5-8-14-9-11-15-12-10-14;4*1-2/h3-4,6H,5,7-12H2,1-2H3;3*1-2H3;1-2H2/b6-3-,13-4+;;;;.
What are the key properties of ethane;ethene;4-[(Z,4Z)-4-ethylidenehept-5-enyl]morpholine?
ethane;ethene;4-[(Z,4Z)-4-ethylidenehept-5-enyl]morpholine has a molecular weight of 327.60 g/mol, XLogP of 6.50, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethene;4-[(Z,4Z)-4-ethylidenehept-5-enyl]morpholine is sourced from PubChem (CID 145472464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).