(3E,5Z)-2,3,5-trimethyl-8-(methylamino)octa-3,5-dien-2-ol

C12H23NO — CID 167082403

IUPAC(3E,5Z)-2,3,5-trimethyl-8-(methylamino)octa-3,5-dien-2-ol
SMILESCNCC/C=C(C)\C=C(/C)C(C)(C)O
InChIInChI=1S/C12H23NO/c1-10(7-6-8-13-5)9-11(2)12(3,4)14/h7,9,13-14H,6,8H2,1-5H3/b10-7-,11-9+
InChIKeyAJPIECGJAQPERN-PWMCPNNSSA-N
MW197.32 g/mol
LogP2.26
Rot. Bonds5

About (3E,5Z)-2,3,5-trimethyl-8-(methylamino)octa-3,5-dien-2-ol

(3E,5Z)-2,3,5-trimethyl-8-(methylamino)octa-3,5-dien-2-ol (PubChem CID 167082403) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is (3E,5Z)-2,3,5-trimethyl-8-(methylamino)octa-3,5-dien-2-ol.

Molecular Properties

Compound Name(3E,5Z)-2,3,5-trimethyl-8-(methylamino)octa-3,5-dien-2-ol
PubChem CID167082403
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name(3E,5Z)-2,3,5-trimethyl-8-(methylamino)octa-3,5-dien-2-ol
SMILESCNCC/C=C(C)\C=C(/C)C(C)(C)O
InChIInChI=1S/C12H23NO/c1-10(7-6-8-13-5)9-11(2)12(3,4)14/h7,9,13-14H,6,8H2,1-5H3/b10-7-,11-9+
InChIKeyAJPIECGJAQPERN-PWMCPNNSSA-N
XLogP2.26
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3E,5Z)-2,3,5-trimethyl-8-(methylamino)octa-3,5-dien-2-ol?
The IUPAC name of (3E,5Z)-2,3,5-trimethyl-8-(methylamino)octa-3,5-dien-2-ol (CID 167082403) is (3E,5Z)-2,3,5-trimethyl-8-(methylamino)octa-3,5-dien-2-ol.
What is the SMILES notation for (3E,5Z)-2,3,5-trimethyl-8-(methylamino)octa-3,5-dien-2-ol?
The canonical SMILES for (3E,5Z)-2,3,5-trimethyl-8-(methylamino)octa-3,5-dien-2-ol is CNCC/C=C(C)\C=C(/C)C(C)(C)O.
What is the InChIKey of (3E,5Z)-2,3,5-trimethyl-8-(methylamino)octa-3,5-dien-2-ol?
The InChIKey is AJPIECGJAQPERN-PWMCPNNSSA-N. The full InChI is InChI=1S/C12H23NO/c1-10(7-6-8-13-5)9-11(2)12(3,4)14/h7,9,13-14H,6,8H2,1-5H3/b10-7-,11-9+.
What are the key properties of (3E,5Z)-2,3,5-trimethyl-8-(methylamino)octa-3,5-dien-2-ol?
(3E,5Z)-2,3,5-trimethyl-8-(methylamino)octa-3,5-dien-2-ol has a molecular weight of 197.32 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z)-2,3,5-trimethyl-8-(methylamino)octa-3,5-dien-2-ol is sourced from PubChem (CID 167082403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).