(3E,6E)-7-methyl-8-nitrosoundeca-3,6-diene

C12H21NO — CID 131993309

IUPAC(3E,6E)-7-methyl-8-nitrosoundeca-3,6-diene
SMILESCC/C=C/C/C=C(\C)C(CCC)N=O
InChIInChI=1S/C12H21NO/c1-4-6-7-8-10-11(3)12(13-14)9-5-2/h6-7,10,12H,4-5,8-9H2,1-3H3/b7-6+,11-10+
InChIKeyMPWYBJANQBHREN-MVQNEBOGSA-N
MW195.31 g/mol
LogP4.22
Rot. Bonds7

About (3E,6E)-7-methyl-8-nitrosoundeca-3,6-diene

(3E,6E)-7-methyl-8-nitrosoundeca-3,6-diene (PubChem CID 131993309) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is (3E,6E)-7-methyl-8-nitrosoundeca-3,6-diene.

Molecular Properties

Compound Name(3E,6E)-7-methyl-8-nitrosoundeca-3,6-diene
PubChem CID131993309
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name(3E,6E)-7-methyl-8-nitrosoundeca-3,6-diene
SMILESCC/C=C/C/C=C(\C)C(CCC)N=O
InChIInChI=1S/C12H21NO/c1-4-6-7-8-10-11(3)12(13-14)9-5-2/h6-7,10,12H,4-5,8-9H2,1-3H3/b7-6+,11-10+
InChIKeyMPWYBJANQBHREN-MVQNEBOGSA-N
XLogP4.22
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

7-methyldodeca-3,6-diene
CID 140972090
ethyl (4E,8Z,11Z,14Z,17Z)-2-propylicosa-4,8,11,14,17-pentaenoate
CID 59187782
pentadeca-3,6,9,12-tetraene
CID 123748490
acetic acid;(Z)-hex-3-ene
CID 87142970
N-[(6Z,9Z)-5-methyldodeca-6,9-dienyl]acetamide
CID 142821696
1,3-dihydroxypropan-2-yl (4E,7E,10E,13E,16E,19E)-2-propyldocosa-4,7,10,13,16,19-hexaenoate
CID 87473933
ethyl (2R)-2-ethyldocosa-4,7,10,13,16,19-hexaenoate
CID 91354101
(E)-5-hydroxy-4-methyldec-3-enal
CID 87291146
ethyl 2-propyloct-5-enoate
CID 140550038
(5Z)-2-ethylicosa-5,8,11,14,17-pentaenoic acid
CID 175828480
(E)-N-methyl-6-propylnon-3-en-5-imine
CID 153374577
(Z)-hex-3-enal
CID 162039404

Frequently Asked Questions

What is the IUPAC name of (3E,6E)-7-methyl-8-nitrosoundeca-3,6-diene?
The IUPAC name of (3E,6E)-7-methyl-8-nitrosoundeca-3,6-diene (CID 131993309) is (3E,6E)-7-methyl-8-nitrosoundeca-3,6-diene.
What is the SMILES notation for (3E,6E)-7-methyl-8-nitrosoundeca-3,6-diene?
The canonical SMILES for (3E,6E)-7-methyl-8-nitrosoundeca-3,6-diene is CC/C=C/C/C=C(\C)C(CCC)N=O.
What is the InChIKey of (3E,6E)-7-methyl-8-nitrosoundeca-3,6-diene?
The InChIKey is MPWYBJANQBHREN-MVQNEBOGSA-N. The full InChI is InChI=1S/C12H21NO/c1-4-6-7-8-10-11(3)12(13-14)9-5-2/h6-7,10,12H,4-5,8-9H2,1-3H3/b7-6+,11-10+.
What are the key properties of (3E,6E)-7-methyl-8-nitrosoundeca-3,6-diene?
(3E,6E)-7-methyl-8-nitrosoundeca-3,6-diene has a molecular weight of 195.31 g/mol, XLogP of 4.22, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,6E)-7-methyl-8-nitrosoundeca-3,6-diene is sourced from PubChem (CID 131993309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).