(6R)-2,2-dimethyl-6-[(2-methylpropan-2-yl)oxy]hept-3-ene

C13H26O — CID 123712551

IUPAC(6R)-2,2-dimethyl-6-[(2-methylpropan-2-yl)oxy]hept-3-ene
SMILESC[C@H](CC=CC(C)(C)C)OC(C)(C)C
InChIInChI=1S/C13H26O/c1-11(14-13(5,6)7)9-8-10-12(2,3)4/h8,10-11H,9H2,1-7H3/t11-/m1/s1
InChIKeyWILOGXGBRKEZNN-LLVKDONJSA-N
MW198.35 g/mol
LogP4.18
Rot. Bonds3

About (6R)-2,2-dimethyl-6-[(2-methylpropan-2-yl)oxy]hept-3-ene

(6R)-2,2-dimethyl-6-[(2-methylpropan-2-yl)oxy]hept-3-ene (PubChem CID 123712551) has the molecular formula C13H26O and a molecular weight of 198.35 g/mol. Its IUPAC name is (6R)-2,2-dimethyl-6-[(2-methylpropan-2-yl)oxy]hept-3-ene.

Molecular Properties

Compound Name(6R)-2,2-dimethyl-6-[(2-methylpropan-2-yl)oxy]hept-3-ene
PubChem CID123712551
Molecular FormulaC13H26O
Molecular Weight198.35 g/mol
Exact Mass198.20
IUPAC Name(6R)-2,2-dimethyl-6-[(2-methylpropan-2-yl)oxy]hept-3-ene
SMILESC[C@H](CC=CC(C)(C)C)OC(C)(C)C
InChIInChI=1S/C13H26O/c1-11(14-13(5,6)7)9-8-10-12(2,3)4/h8,10-11H,9H2,1-7H3/t11-/m1/s1
InChIKeyWILOGXGBRKEZNN-LLVKDONJSA-N
XLogP4.18
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (6R)-2,2-dimethyl-6-[(2-methylpropan-2-yl)oxy]hept-3-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2-dimethyl-8-[(2-methylpropan-2-yl)oxy]non-3-ene
CID 123576567
(E)-2,2,6-trimethyl-7-[(2-methylpropan-2-yl)oxy]hept-3-ene
CID 89109451
methane;(6S)-6-methoxy-2,2,7-trimethyloct-3-ene
CID 159032616
2,2,6,8,8-pentamethylnon-3-ene
CID 140692127
4,8,8-trimethylnona-1,6-diene
CID 173093207
2,3,7,7-tetramethylocta-1,5-diene
CID 54573409
(2S)-2-[(2-methylpropan-2-yl)oxy]propan-1-ol
CID 3086386
(E,2S)-2-amino-6,6-dimethylhept-4-enoic acid
CID 58150151
(E)-4,4-dimethyl-1-(2-methylpropoxy)pent-2-ene
CID 171766956
(E)-5,5-dimethyl-1-propan-2-yloxyhex-3-ene
CID 89254898
2,2-dimethyl-5-[(2-methylpropan-2-yl)oxy]hexane
CID 159070558
(5S)-2,2-dimethyl-5-[(2-methylpropan-2-yl)oxy]hexane
CID 169306082

Frequently Asked Questions

What is the IUPAC name of (6R)-2,2-dimethyl-6-[(2-methylpropan-2-yl)oxy]hept-3-ene?
The IUPAC name of (6R)-2,2-dimethyl-6-[(2-methylpropan-2-yl)oxy]hept-3-ene (CID 123712551) is (6R)-2,2-dimethyl-6-[(2-methylpropan-2-yl)oxy]hept-3-ene.
What is the SMILES notation for (6R)-2,2-dimethyl-6-[(2-methylpropan-2-yl)oxy]hept-3-ene?
The canonical SMILES for (6R)-2,2-dimethyl-6-[(2-methylpropan-2-yl)oxy]hept-3-ene is C[C@H](CC=CC(C)(C)C)OC(C)(C)C.
What is the InChIKey of (6R)-2,2-dimethyl-6-[(2-methylpropan-2-yl)oxy]hept-3-ene?
The InChIKey is WILOGXGBRKEZNN-LLVKDONJSA-N. The full InChI is InChI=1S/C13H26O/c1-11(14-13(5,6)7)9-8-10-12(2,3)4/h8,10-11H,9H2,1-7H3/t11-/m1/s1.
What are the key properties of (6R)-2,2-dimethyl-6-[(2-methylpropan-2-yl)oxy]hept-3-ene?
(6R)-2,2-dimethyl-6-[(2-methylpropan-2-yl)oxy]hept-3-ene has a molecular weight of 198.35 g/mol, XLogP of 4.18, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-2,2-dimethyl-6-[(2-methylpropan-2-yl)oxy]hept-3-ene is sourced from PubChem (CID 123712551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).