(6S)-2,6-dimethyloct-2-ene

C10H20 — CID 10986326

IUPAC(6S)-2,6-dimethyloct-2-ene
SMILESCC[C@H](C)CCC=C(C)C
InChIInChI=1S/C10H20/c1-5-10(4)8-6-7-9(2)3/h7,10H,5-6,8H2,1-4H3/t10-/m0/s1
InChIKeyWQNLWKDARWVSKE-JTQLQIEISA-N
MW140.27 g/mol
LogP3.78
Rot. Bonds4

About (6S)-2,6-dimethyloct-2-ene

(6S)-2,6-dimethyloct-2-ene (PubChem CID 10986326) has the molecular formula C10H20 and a molecular weight of 140.27 g/mol. Its IUPAC name is (6S)-2,6-dimethyloct-2-ene.

Molecular Properties

Compound Name(6S)-2,6-dimethyloct-2-ene
PubChem CID10986326
Molecular FormulaC10H20
Molecular Weight140.27 g/mol
Exact Mass140.16
IUPAC Name(6S)-2,6-dimethyloct-2-ene
SMILESCC[C@H](C)CCC=C(C)C
InChIInChI=1S/C10H20/c1-5-10(4)8-6-7-9(2)3/h7,10H,5-6,8H2,1-4H3/t10-/m0/s1
InChIKeyWQNLWKDARWVSKE-JTQLQIEISA-N
XLogP3.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.27
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 (6S)-2,6-dimethyloct-2-ene?
The IUPAC name of (6S)-2,6-dimethyloct-2-ene (CID 10986326) is (6S)-2,6-dimethyloct-2-ene.
What is the SMILES notation for (6S)-2,6-dimethyloct-2-ene?
The canonical SMILES for (6S)-2,6-dimethyloct-2-ene is CC[C@H](C)CCC=C(C)C.
What is the InChIKey of (6S)-2,6-dimethyloct-2-ene?
The InChIKey is WQNLWKDARWVSKE-JTQLQIEISA-N. The full InChI is InChI=1S/C10H20/c1-5-10(4)8-6-7-9(2)3/h7,10H,5-6,8H2,1-4H3/t10-/m0/s1.
What are the key properties of (6S)-2,6-dimethyloct-2-ene?
(6S)-2,6-dimethyloct-2-ene has a molecular weight of 140.27 g/mol, XLogP of 3.78, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-2,6-dimethyloct-2-ene is sourced from PubChem (CID 10986326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).