(3R,5S)-3,5-dimethyl-6-nitrosohex-1-ene

C8H15NO — CID 88931874

IUPAC(3R,5S)-3,5-dimethyl-6-nitrosohex-1-ene
SMILESC=C[C@H](C)C[C@H](C)CN=O
InChIInChI=1S/C8H15NO/c1-4-7(2)5-8(3)6-9-10/h4,7-8H,1,5-6H2,2-3H3/t7-,8-/m0/s1
InChIKeyKZSVJWAYOIMSJJ-YUMQZZPRSA-N
MW141.21 g/mol
LogP2.60
Rot. Bonds5

About (3R,5S)-3,5-dimethyl-6-nitrosohex-1-ene

(3R,5S)-3,5-dimethyl-6-nitrosohex-1-ene (PubChem CID 88931874) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is (3R,5S)-3,5-dimethyl-6-nitrosohex-1-ene.

Molecular Properties

Compound Name(3R,5S)-3,5-dimethyl-6-nitrosohex-1-ene
PubChem CID88931874
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name(3R,5S)-3,5-dimethyl-6-nitrosohex-1-ene
SMILESC=C[C@H](C)C[C@H](C)CN=O
InChIInChI=1S/C8H15NO/c1-4-7(2)5-8(3)6-9-10/h4,7-8H,1,5-6H2,2-3H3/t7-,8-/m0/s1
InChIKeyKZSVJWAYOIMSJJ-YUMQZZPRSA-N
XLogP2.60
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R,5S)-3,5-dimethyl-6-nitrosohex-1-ene?
The IUPAC name of (3R,5S)-3,5-dimethyl-6-nitrosohex-1-ene (CID 88931874) is (3R,5S)-3,5-dimethyl-6-nitrosohex-1-ene.
What is the SMILES notation for (3R,5S)-3,5-dimethyl-6-nitrosohex-1-ene?
The canonical SMILES for (3R,5S)-3,5-dimethyl-6-nitrosohex-1-ene is C=C[C@H](C)C[C@H](C)CN=O.
What is the InChIKey of (3R,5S)-3,5-dimethyl-6-nitrosohex-1-ene?
The InChIKey is KZSVJWAYOIMSJJ-YUMQZZPRSA-N. The full InChI is InChI=1S/C8H15NO/c1-4-7(2)5-8(3)6-9-10/h4,7-8H,1,5-6H2,2-3H3/t7-,8-/m0/s1.
What are the key properties of (3R,5S)-3,5-dimethyl-6-nitrosohex-1-ene?
(3R,5S)-3,5-dimethyl-6-nitrosohex-1-ene has a molecular weight of 141.21 g/mol, XLogP of 2.60, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-3,5-dimethyl-6-nitrosohex-1-ene is sourced from PubChem (CID 88931874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).