6,6-dimethyl-1-propan-2-yloxyoct-3-ene

C13H26O — CID 123190231

IUPAC6,6-dimethyl-1-propan-2-yloxyoct-3-ene
SMILESCCC(C)(C)CC=CCCOC(C)C
InChIInChI=1S/C13H26O/c1-6-13(4,5)10-8-7-9-11-14-12(2)3/h7-8,12H,6,9-11H2,1-5H3
InChIKeyUMMNNYRPIDOLRU-UHFFFAOYSA-N
MW198.35 g/mol
LogP4.18
Rot. Bonds7

About 6,6-dimethyl-1-propan-2-yloxyoct-3-ene

6,6-dimethyl-1-propan-2-yloxyoct-3-ene (PubChem CID 123190231) has the molecular formula C13H26O and a molecular weight of 198.35 g/mol. Its IUPAC name is 6,6-dimethyl-1-propan-2-yloxyoct-3-ene.

Molecular Properties

Compound Name6,6-dimethyl-1-propan-2-yloxyoct-3-ene
PubChem CID123190231
Molecular FormulaC13H26O
Molecular Weight198.35 g/mol
Exact Mass198.20
IUPAC Name6,6-dimethyl-1-propan-2-yloxyoct-3-ene
SMILESCCC(C)(C)CC=CCCOC(C)C
InChIInChI=1S/C13H26O/c1-6-13(4,5)10-8-7-9-11-14-12(2)3/h7-8,12H,6,9-11H2,1-5H3
InChIKeyUMMNNYRPIDOLRU-UHFFFAOYSA-N
XLogP4.18
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(E)-5-methoxy-6,6-dimethylhept-2-ene
CID 134995972
2-Ethyl-3-methyl-2,3,6,7-tetrahydrooxepine
CID 16759050
(1E,6E)-1,7-dimethoxy-4,4-dimethylocta-1,6-diene
CID 10442729
(1Z,6E)-1,7-dimethoxy-4,4-dimethylocta-1,6-diene
CID 177393480
4-[(2-Methylpropan-2-yl)oxy]cyclopentene
CID 18541574
4-(3,3-Dimethylbutan-2-yloxy)cyclohexene
CID 19379319
4-(3,3-Dimethylbutoxy)cyclohexene
CID 57314537
(E)-7-methyl-1-propan-2-yloxyoct-3-ene
CID 57689217
(5Z)-2,3-dimethyl-3,4,7,8-tetrahydro-2H-oxocine
CID 58293720
(Z)-1-(3,3-dimethylbutoxy)-5,5-dimethylhex-3-ene
CID 58798515
(Z)-2,5,7-trimethyl-6-propan-2-yloxyoct-3-ene
CID 58961178
(3E,5E)-8-methoxy-2,2,9,9-tetramethyldeca-3,5-diene
CID 58982193

Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-1-propan-2-yloxyoct-3-ene?
The IUPAC name of 6,6-dimethyl-1-propan-2-yloxyoct-3-ene (CID 123190231) is 6,6-dimethyl-1-propan-2-yloxyoct-3-ene.
What is the SMILES notation for 6,6-dimethyl-1-propan-2-yloxyoct-3-ene?
The canonical SMILES for 6,6-dimethyl-1-propan-2-yloxyoct-3-ene is CCC(C)(C)CC=CCCOC(C)C.
What is the InChIKey of 6,6-dimethyl-1-propan-2-yloxyoct-3-ene?
The InChIKey is UMMNNYRPIDOLRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O/c1-6-13(4,5)10-8-7-9-11-14-12(2)3/h7-8,12H,6,9-11H2,1-5H3.
What are the key properties of 6,6-dimethyl-1-propan-2-yloxyoct-3-ene?
6,6-dimethyl-1-propan-2-yloxyoct-3-ene has a molecular weight of 198.35 g/mol, XLogP of 4.18, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-1-propan-2-yloxyoct-3-ene is sourced from PubChem (CID 123190231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).