(4E,6Z)-4-methyl-2-(propan-2-ylamino)octa-4,6-dien-1-ol

C12H23NO — CID 126517363

IUPAC(4E,6Z)-4-methyl-2-(propan-2-ylamino)octa-4,6-dien-1-ol
SMILESC/C=C\C=C(/C)CC(CO)NC(C)C
InChIInChI=1S/C12H23NO/c1-5-6-7-11(4)8-12(9-14)13-10(2)3/h5-7,10,12-14H,8-9H2,1-4H3/b6-5-,11-7+
InChIKeyCDLBHRUELPQDIU-GNLLZQBYSA-N
MW197.32 g/mol
LogP2.26
Rot. Bonds6

About (4E,6Z)-4-methyl-2-(propan-2-ylamino)octa-4,6-dien-1-ol

(4E,6Z)-4-methyl-2-(propan-2-ylamino)octa-4,6-dien-1-ol (PubChem CID 126517363) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is (4E,6Z)-4-methyl-2-(propan-2-ylamino)octa-4,6-dien-1-ol.

Molecular Properties

Compound Name(4E,6Z)-4-methyl-2-(propan-2-ylamino)octa-4,6-dien-1-ol
PubChem CID126517363
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name(4E,6Z)-4-methyl-2-(propan-2-ylamino)octa-4,6-dien-1-ol
SMILESC/C=C\C=C(/C)CC(CO)NC(C)C
InChIInChI=1S/C12H23NO/c1-5-6-7-11(4)8-12(9-14)13-10(2)3/h5-7,10,12-14H,8-9H2,1-4H3/b6-5-,11-7+
InChIKeyCDLBHRUELPQDIU-GNLLZQBYSA-N
XLogP2.26
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
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': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4E,6Z)-4-methyl-2-(propan-2-ylamino)octa-4,6-dien-1-ol?
The IUPAC name of (4E,6Z)-4-methyl-2-(propan-2-ylamino)octa-4,6-dien-1-ol (CID 126517363) is (4E,6Z)-4-methyl-2-(propan-2-ylamino)octa-4,6-dien-1-ol.
What is the SMILES notation for (4E,6Z)-4-methyl-2-(propan-2-ylamino)octa-4,6-dien-1-ol?
The canonical SMILES for (4E,6Z)-4-methyl-2-(propan-2-ylamino)octa-4,6-dien-1-ol is C/C=C\C=C(/C)CC(CO)NC(C)C.
What is the InChIKey of (4E,6Z)-4-methyl-2-(propan-2-ylamino)octa-4,6-dien-1-ol?
The InChIKey is CDLBHRUELPQDIU-GNLLZQBYSA-N. The full InChI is InChI=1S/C12H23NO/c1-5-6-7-11(4)8-12(9-14)13-10(2)3/h5-7,10,12-14H,8-9H2,1-4H3/b6-5-,11-7+.
What are the key properties of (4E,6Z)-4-methyl-2-(propan-2-ylamino)octa-4,6-dien-1-ol?
(4E,6Z)-4-methyl-2-(propan-2-ylamino)octa-4,6-dien-1-ol has a molecular weight of 197.32 g/mol, XLogP of 2.26, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,6Z)-4-methyl-2-(propan-2-ylamino)octa-4,6-dien-1-ol is sourced from PubChem (CID 126517363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).