2-[(3Z)-2,4,6-trimethylhepta-3,5-dienyl]iminoethanol

C12H21NO — CID 146514636

IUPAC2-[(3Z)-2,4,6-trimethylhepta-3,5-dienyl]iminoethanol
SMILESCC(C)=C/C(C)=C\C(C)C/N=C/CO
InChIInChI=1S/C12H21NO/c1-10(2)7-11(3)8-12(4)9-13-5-6-14/h5,7-8,12,14H,6,9H2,1-4H3/b11-8-,13-5+
InChIKeyVXXQWFIMIKZFFL-RDDASKGTSA-N
MW195.31 g/mol
LogP2.60
Rot. Bonds5

About 2-[(3Z)-2,4,6-trimethylhepta-3,5-dienyl]iminoethanol

2-[(3Z)-2,4,6-trimethylhepta-3,5-dienyl]iminoethanol (PubChem CID 146514636) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 2-[(3Z)-2,4,6-trimethylhepta-3,5-dienyl]iminoethanol.

Molecular Properties

Compound Name2-[(3Z)-2,4,6-trimethylhepta-3,5-dienyl]iminoethanol
PubChem CID146514636
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name2-[(3Z)-2,4,6-trimethylhepta-3,5-dienyl]iminoethanol
SMILESCC(C)=C/C(C)=C\C(C)C/N=C/CO
InChIInChI=1S/C12H21NO/c1-10(2)7-11(3)8-12(4)9-13-5-6-14/h5,7-8,12,14H,6,9H2,1-4H3/b11-8-,13-5+
InChIKeyVXXQWFIMIKZFFL-RDDASKGTSA-N
XLogP2.60
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(2E,4Z)-2,4,6-trimethylocta-2,4-dien-1-ol
CID 101448778
(1Z)-2-(2-hydroxyethylideneamino)-4-methylpenta-1,3-dien-1-ol
CID 142099505
2-[1-(2-hydroxyethylideneamino)ethylimino]ethanol
CID 141226662
(2E,5E)-3,7-dimethylocta-2,5-dien-1-ol
CID 152758183
(4Z)-2,3,5,7-tetramethylocta-2,4,6-triene
CID 142272318
N-[(E)-4-methylhex-2-en-2-yl]ethanimine
CID 90864591
(4R)-2,4-dimethylhex-2-ene
CID 142611901
2,4,6-trimethylhept-2-ene
CID 558039
2,4,7-trimethylocta-2,4,6-triene
CID 162298746
5-methyl-N-propan-2-ylhex-4-en-3-imine
CID 130433844
(4Z)-4-(4,4-difluorobutan-2-yl)-2,6-dimethylhepta-2,4-diene
CID 155183670
(2E,4E,6R)-2,4,6-trimethyldeca-2,4-dienamide
CID 162953444

Frequently Asked Questions

What is the IUPAC name of 2-[(3Z)-2,4,6-trimethylhepta-3,5-dienyl]iminoethanol?
The IUPAC name of 2-[(3Z)-2,4,6-trimethylhepta-3,5-dienyl]iminoethanol (CID 146514636) is 2-[(3Z)-2,4,6-trimethylhepta-3,5-dienyl]iminoethanol.
What is the SMILES notation for 2-[(3Z)-2,4,6-trimethylhepta-3,5-dienyl]iminoethanol?
The canonical SMILES for 2-[(3Z)-2,4,6-trimethylhepta-3,5-dienyl]iminoethanol is CC(C)=C/C(C)=C\C(C)C/N=C/CO.
What is the InChIKey of 2-[(3Z)-2,4,6-trimethylhepta-3,5-dienyl]iminoethanol?
The InChIKey is VXXQWFIMIKZFFL-RDDASKGTSA-N. The full InChI is InChI=1S/C12H21NO/c1-10(2)7-11(3)8-12(4)9-13-5-6-14/h5,7-8,12,14H,6,9H2,1-4H3/b11-8-,13-5+.
What are the key properties of 2-[(3Z)-2,4,6-trimethylhepta-3,5-dienyl]iminoethanol?
2-[(3Z)-2,4,6-trimethylhepta-3,5-dienyl]iminoethanol has a molecular weight of 195.31 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3Z)-2,4,6-trimethylhepta-3,5-dienyl]iminoethanol is sourced from PubChem (CID 146514636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).