(E,6S)-6-ethenyl-6-methylnon-3-ene

C12H22 — CID 135075495

IUPAC(E,6S)-6-ethenyl-6-methylnon-3-ene
SMILESC=C[C@](C)(C/C=C/CC)CCC
InChIInChI=1S/C12H22/c1-5-8-9-11-12(4,7-3)10-6-2/h7-9H,3,5-6,10-11H2,1-2,4H3/b9-8+/t12-/m0/s1
InChIKeyRXWJIAHFELRNGI-BCPZQOPPSA-N
MW166.31 g/mol
LogP4.34
Rot. Bonds6

About (E,6S)-6-ethenyl-6-methylnon-3-ene

(E,6S)-6-ethenyl-6-methylnon-3-ene (PubChem CID 135075495) has the molecular formula C12H22 and a molecular weight of 166.31 g/mol. Its IUPAC name is (E,6S)-6-ethenyl-6-methylnon-3-ene.

Molecular Properties

Compound Name(E,6S)-6-ethenyl-6-methylnon-3-ene
PubChem CID135075495
Molecular FormulaC12H22
Molecular Weight166.31 g/mol
Exact Mass166.17
IUPAC Name(E,6S)-6-ethenyl-6-methylnon-3-ene
SMILESC=C[C@](C)(C/C=C/CC)CCC
InChIInChI=1S/C12H22/c1-5-8-9-11-12(4,7-3)10-6-2/h7-9H,3,5-6,10-11H2,1-2,4H3/b9-8+/t12-/m0/s1
InChIKeyRXWJIAHFELRNGI-BCPZQOPPSA-N
XLogP4.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.31
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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3,5,5-Trimethyl-2-hexene
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2,2,4,6,6-Pentamethyl-3-heptene
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Frequently Asked Questions

What is the IUPAC name of (E,6S)-6-ethenyl-6-methylnon-3-ene?
The IUPAC name of (E,6S)-6-ethenyl-6-methylnon-3-ene (CID 135075495) is (E,6S)-6-ethenyl-6-methylnon-3-ene.
What is the SMILES notation for (E,6S)-6-ethenyl-6-methylnon-3-ene?
The canonical SMILES for (E,6S)-6-ethenyl-6-methylnon-3-ene is C=C[C@](C)(C/C=C/CC)CCC.
What is the InChIKey of (E,6S)-6-ethenyl-6-methylnon-3-ene?
The InChIKey is RXWJIAHFELRNGI-BCPZQOPPSA-N. The full InChI is InChI=1S/C12H22/c1-5-8-9-11-12(4,7-3)10-6-2/h7-9H,3,5-6,10-11H2,1-2,4H3/b9-8+/t12-/m0/s1.
What are the key properties of (E,6S)-6-ethenyl-6-methylnon-3-ene?
(E,6S)-6-ethenyl-6-methylnon-3-ene has a molecular weight of 166.31 g/mol, XLogP of 4.34, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E,6S)-6-ethenyl-6-methylnon-3-ene is sourced from PubChem (CID 135075495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).