ethane;(2E,4Z,6Z)-5-ethenyl-4-methanimidoylocta-2,4,6-trien-2-ol

C15H27NO — CID 144863616

IUPACethane;(2E,4Z,6Z)-5-ethenyl-4-methanimidoylocta-2,4,6-trien-2-ol
SMILESCC.CC.[H]/N=C/C(/C=C(\C)O)=C(C=C)\C=C/C
InChIInChI=1S/C11H15NO.2C2H6/c1-4-6-10(5-2)11(8-12)7-9(3)13;2*1-2/h4-8,12-13H,2H2,1,3H3;2*1-2H3/b6-4-,9-7+,11-10-,12-8+;;
InChIKeyBVLFCPXOEQNDSD-AMQFAQTISA-N
MW237.39 g/mol
LogP5.21
Rot. Bonds4

About ethane;(2E,4Z,6Z)-5-ethenyl-4-methanimidoylocta-2,4,6-trien-2-ol

ethane;(2E,4Z,6Z)-5-ethenyl-4-methanimidoylocta-2,4,6-trien-2-ol (PubChem CID 144863616) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is ethane;(2E,4Z,6Z)-5-ethenyl-4-methanimidoylocta-2,4,6-trien-2-ol.

Molecular Properties

Compound Nameethane;(2E,4Z,6Z)-5-ethenyl-4-methanimidoylocta-2,4,6-trien-2-ol
PubChem CID144863616
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Nameethane;(2E,4Z,6Z)-5-ethenyl-4-methanimidoylocta-2,4,6-trien-2-ol
SMILESCC.CC.[H]/N=C/C(/C=C(\C)O)=C(C=C)\C=C/C
InChIInChI=1S/C11H15NO.2C2H6/c1-4-6-10(5-2)11(8-12)7-9(3)13;2*1-2/h4-8,12-13H,2H2,1,3H3;2*1-2H3/b6-4-,9-7+,11-10-,12-8+;;
InChIKeyBVLFCPXOEQNDSD-AMQFAQTISA-N
XLogP5.21
TPSA44.08 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500237.39
LogP ≤ 55.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(3E,5Z)-1-iminoocta-3,5,7-trien-3-ol
CID 118234218
(2E,4Z)-4-methanimidoylhepta-2,4,6-trien-3-ol
CID 126695369
(1Z)-3-methanimidoyl-1-(4-propan-2-ylcyclohexa-2,4-dien-1-yl)buta-1,3-dien-1-ol
CID 130390598
(2Z,4E)-2-ethyl-5-methoxyhepta-2,4-dien-1-imine
CID 134423323
(3E,5Z)-2-methanimidoylhepta-1,3,5-trien-3-ol
CID 138508447
(2E,4E,7E,9Z)-7-ethyl-1-imino-2-methyl-6-propan-2-ylidenedodeca-2,4,7,9,11-pentaen-4-ol
CID 142350881
Cyclohepta-1,4,6-trien-1-ylmethanimine;ethane;molecular hydrogen;hydrate
CID 142495017
(Z)-4-methylidenehex-2-en-1-imine;prop-1-en-1-ol
CID 143048025
ethane;(3Z,5E)-5-methanimidoylhepta-1,3,5-trien-2-ol
CID 143193809
(2E,4Z)-4-methanimidoyl-6-methylhepta-2,4,6-trien-3-ol
CID 143341071
(3Z)-5-methanimidoylhexa-1,3,5-trien-2-ol
CID 143933256
7-Methanimidoyl-3-methylcyclohepta-1,4,6-trien-1-ol
CID 144151344

Frequently Asked Questions

What is the IUPAC name of ethane;(2E,4Z,6Z)-5-ethenyl-4-methanimidoylocta-2,4,6-trien-2-ol?
The IUPAC name of ethane;(2E,4Z,6Z)-5-ethenyl-4-methanimidoylocta-2,4,6-trien-2-ol (CID 144863616) is ethane;(2E,4Z,6Z)-5-ethenyl-4-methanimidoylocta-2,4,6-trien-2-ol.
What is the SMILES notation for ethane;(2E,4Z,6Z)-5-ethenyl-4-methanimidoylocta-2,4,6-trien-2-ol?
The canonical SMILES for ethane;(2E,4Z,6Z)-5-ethenyl-4-methanimidoylocta-2,4,6-trien-2-ol is CC.CC.[H]/N=C/C(/C=C(\C)O)=C(C=C)\C=C/C.
What is the InChIKey of ethane;(2E,4Z,6Z)-5-ethenyl-4-methanimidoylocta-2,4,6-trien-2-ol?
The InChIKey is BVLFCPXOEQNDSD-AMQFAQTISA-N. The full InChI is InChI=1S/C11H15NO.2C2H6/c1-4-6-10(5-2)11(8-12)7-9(3)13;2*1-2/h4-8,12-13H,2H2,1,3H3;2*1-2H3/b6-4-,9-7+,11-10-,12-8+;;.
What are the key properties of ethane;(2E,4Z,6Z)-5-ethenyl-4-methanimidoylocta-2,4,6-trien-2-ol?
ethane;(2E,4Z,6Z)-5-ethenyl-4-methanimidoylocta-2,4,6-trien-2-ol has a molecular weight of 237.39 g/mol, XLogP of 5.21, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2E,4Z,6Z)-5-ethenyl-4-methanimidoylocta-2,4,6-trien-2-ol is sourced from PubChem (CID 144863616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).