(6R)-8,8-dimethoxy-2,6-dimethyloct-2-ene

C12H24O2 — CID 7009067

IUPAC(6R)-8,8-dimethoxy-2,6-dimethyloct-2-ene
SMILESCOC(C[C@H](C)CCC=C(C)C)OC
InChIInChI=1S/C12H24O2/c1-10(2)7-6-8-11(3)9-12(13-4)14-5/h7,11-12H,6,8-9H2,1-5H3/t11-/m1/s1
InChIKeySEXUFKWNUNQRSS-LLVKDONJSA-N
MW200.32 g/mol
LogP3.38
Rot. Bonds7

About (6R)-8,8-dimethoxy-2,6-dimethyloct-2-ene

(6R)-8,8-dimethoxy-2,6-dimethyloct-2-ene (PubChem CID 7009067) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is (6R)-8,8-dimethoxy-2,6-dimethyloct-2-ene.

Molecular Properties

Compound Name(6R)-8,8-dimethoxy-2,6-dimethyloct-2-ene
PubChem CID7009067
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Name(6R)-8,8-dimethoxy-2,6-dimethyloct-2-ene
SMILESCOC(C[C@H](C)CCC=C(C)C)OC
InChIInChI=1S/C12H24O2/c1-10(2)7-6-8-11(3)9-12(13-4)14-5/h7,11-12H,6,8-9H2,1-5H3/t11-/m1/s1
InChIKeySEXUFKWNUNQRSS-LLVKDONJSA-N
XLogP3.38
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6R)-8,8-dimethoxy-2,6-dimethyloct-2-ene?
The IUPAC name of (6R)-8,8-dimethoxy-2,6-dimethyloct-2-ene (CID 7009067) is (6R)-8,8-dimethoxy-2,6-dimethyloct-2-ene.
What is the SMILES notation for (6R)-8,8-dimethoxy-2,6-dimethyloct-2-ene?
The canonical SMILES for (6R)-8,8-dimethoxy-2,6-dimethyloct-2-ene is COC(C[C@H](C)CCC=C(C)C)OC.
What is the InChIKey of (6R)-8,8-dimethoxy-2,6-dimethyloct-2-ene?
The InChIKey is SEXUFKWNUNQRSS-LLVKDONJSA-N. The full InChI is InChI=1S/C12H24O2/c1-10(2)7-6-8-11(3)9-12(13-4)14-5/h7,11-12H,6,8-9H2,1-5H3/t11-/m1/s1.
What are the key properties of (6R)-8,8-dimethoxy-2,6-dimethyloct-2-ene?
(6R)-8,8-dimethoxy-2,6-dimethyloct-2-ene has a molecular weight of 200.32 g/mol, XLogP of 3.38, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-8,8-dimethoxy-2,6-dimethyloct-2-ene is sourced from PubChem (CID 7009067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).