(2E,4E,7E,9Z)-7-ethyl-1-imino-2-methyl-6-propan-2-ylidenedodeca-2,4,7,9,11-pentaen-4-ol

C18H25NO — CID 142350881

IUPAC(2E,4E,7E,9Z)-7-ethyl-1-imino-2-methyl-6-propan-2-ylidenedodeca-2,4,7,9,11-pentaen-4-ol
SMILES[H]/N=C/C(C)=C/C(O)=C/C(=C(C)C)/C(=C/C=C\C=C)CC
InChIInChI=1S/C18H25NO/c1-6-8-9-10-16(7-2)18(14(3)4)12-17(20)11-15(5)13-19/h6,8-13,19-20H,1,7H2,2-5H3/b9-8-,15-11+,16-10+,17-12+,19-13+
InChIKeySHXLVCRGXHGZIV-JXDFLWPMSA-N
MW271.40 g/mol
LogP5.44
Rot. Bonds7

About (2E,4E,7E,9Z)-7-ethyl-1-imino-2-methyl-6-propan-2-ylidenedodeca-2,4,7,9,11-pentaen-4-ol

(2E,4E,7E,9Z)-7-ethyl-1-imino-2-methyl-6-propan-2-ylidenedodeca-2,4,7,9,11-pentaen-4-ol (PubChem CID 142350881) has the molecular formula C18H25NO and a molecular weight of 271.40 g/mol. Its IUPAC name is (2E,4E,7E,9Z)-7-ethyl-1-imino-2-methyl-6-propan-2-ylidenedodeca-2,4,7,9,11-pentaen-4-ol.

Molecular Properties

Compound Name(2E,4E,7E,9Z)-7-ethyl-1-imino-2-methyl-6-propan-2-ylidenedodeca-2,4,7,9,11-pentaen-4-ol
PubChem CID142350881
Molecular FormulaC18H25NO
Molecular Weight271.40 g/mol
Exact Mass271.19
IUPAC Name(2E,4E,7E,9Z)-7-ethyl-1-imino-2-methyl-6-propan-2-ylidenedodeca-2,4,7,9,11-pentaen-4-ol
SMILES[H]/N=C/C(C)=C/C(O)=C/C(=C(C)C)/C(=C/C=C\C=C)CC
InChIInChI=1S/C18H25NO/c1-6-8-9-10-16(7-2)18(14(3)4)12-17(20)11-15(5)13-19/h6,8-13,19-20H,1,7H2,2-5H3/b9-8-,15-11+,16-10+,17-12+,19-13+
InChIKeySHXLVCRGXHGZIV-JXDFLWPMSA-N
XLogP5.44
TPSA44.08 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500271.40
LogP ≤ 55.44
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

(4E,6Z)-4-methanimidoylocta-4,6-dien-3-ol
CID 89771739
(4E)-4-methanimidoyl-7-methylocta-4,6-dien-3-ol
CID 89771742
(2E,4Z)-4-methanimidoylhepta-2,4,6-trien-3-ol
CID 126695369
(4Z,5Z)-4-ethylidene-5-(1-iminopropan-2-ylidene)cyclohexa-2,6-diene-1,2-diol
CID 136594381
(3E,5Z)-2-methanimidoylhepta-1,3,5-trien-3-ol
CID 138508447
(3Z)-3-methanimidoyl-5-methylidenehepta-1,3-dien-2-ol
CID 142016028
6-Methanimidoyl-2-prop-2-enylcyclohexa-1,5-dien-1-ol
CID 142596756
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
7-Methanimidoylcyclohepta-1,4,6-trien-1-ol
CID 144213310

Frequently Asked Questions

What is the IUPAC name of (2E,4E,7E,9Z)-7-ethyl-1-imino-2-methyl-6-propan-2-ylidenedodeca-2,4,7,9,11-pentaen-4-ol?
The IUPAC name of (2E,4E,7E,9Z)-7-ethyl-1-imino-2-methyl-6-propan-2-ylidenedodeca-2,4,7,9,11-pentaen-4-ol (CID 142350881) is (2E,4E,7E,9Z)-7-ethyl-1-imino-2-methyl-6-propan-2-ylidenedodeca-2,4,7,9,11-pentaen-4-ol.
What is the SMILES notation for (2E,4E,7E,9Z)-7-ethyl-1-imino-2-methyl-6-propan-2-ylidenedodeca-2,4,7,9,11-pentaen-4-ol?
The canonical SMILES for (2E,4E,7E,9Z)-7-ethyl-1-imino-2-methyl-6-propan-2-ylidenedodeca-2,4,7,9,11-pentaen-4-ol is [H]/N=C/C(C)=C/C(O)=C/C(=C(C)C)/C(=C/C=C\C=C)CC.
What is the InChIKey of (2E,4E,7E,9Z)-7-ethyl-1-imino-2-methyl-6-propan-2-ylidenedodeca-2,4,7,9,11-pentaen-4-ol?
The InChIKey is SHXLVCRGXHGZIV-JXDFLWPMSA-N. The full InChI is InChI=1S/C18H25NO/c1-6-8-9-10-16(7-2)18(14(3)4)12-17(20)11-15(5)13-19/h6,8-13,19-20H,1,7H2,2-5H3/b9-8-,15-11+,16-10+,17-12+,19-13+.
What are the key properties of (2E,4E,7E,9Z)-7-ethyl-1-imino-2-methyl-6-propan-2-ylidenedodeca-2,4,7,9,11-pentaen-4-ol?
(2E,4E,7E,9Z)-7-ethyl-1-imino-2-methyl-6-propan-2-ylidenedodeca-2,4,7,9,11-pentaen-4-ol has a molecular weight of 271.40 g/mol, XLogP of 5.44, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E,7E,9Z)-7-ethyl-1-imino-2-methyl-6-propan-2-ylidenedodeca-2,4,7,9,11-pentaen-4-ol is sourced from PubChem (CID 142350881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).