5,5,7,7-tetramethyl-2-prop-1-en-2-yloxyoct-1-ene

C15H28O — CID 153393091

IUPAC5,5,7,7-tetramethyl-2-prop-1-en-2-yloxyoct-1-ene
SMILESC=C(C)OC(=C)CCC(C)(C)CC(C)(C)C
InChIInChI=1S/C15H28O/c1-12(2)16-13(3)9-10-15(7,8)11-14(4,5)6/h1,3,9-11H2,2,4-8H3
InChIKeyPWEGYLHUDSJSTF-UHFFFAOYSA-N
MW224.39 g/mol
LogP5.29
Rot. Bonds6

About 5,5,7,7-tetramethyl-2-prop-1-en-2-yloxyoct-1-ene

5,5,7,7-tetramethyl-2-prop-1-en-2-yloxyoct-1-ene (PubChem CID 153393091) has the molecular formula C15H28O and a molecular weight of 224.39 g/mol. Its IUPAC name is 5,5,7,7-tetramethyl-2-prop-1-en-2-yloxyoct-1-ene.

Molecular Properties

Compound Name5,5,7,7-tetramethyl-2-prop-1-en-2-yloxyoct-1-ene
PubChem CID153393091
Molecular FormulaC15H28O
Molecular Weight224.39 g/mol
Exact Mass224.21
IUPAC Name5,5,7,7-tetramethyl-2-prop-1-en-2-yloxyoct-1-ene
SMILESC=C(C)OC(=C)CCC(C)(C)CC(C)(C)C
InChIInChI=1S/C15H28O/c1-12(2)16-13(3)9-10-15(7,8)11-14(4,5)6/h1,3,9-11H2,2,4-8H3
InChIKeyPWEGYLHUDSJSTF-UHFFFAOYSA-N
XLogP5.29
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500224.39
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

7,9-Dimethylidene-8-oxaspiro[4.5]decane
CID 15759299
4-Ethyl-2-(4-ethyloct-1-en-2-yloxy)oct-1-ene
CID 56634113
2-Methoxy-8,8-dimethylnon-1-ene
CID 58033945
1-Methyl-1-[1-[1-(1-methylcyclohexyl)ethenoxy]ethenyl]cyclohexane
CID 66833523
1-(1-Butoxyethenyl)-1-methyl-2-methylidenecyclohexane
CID 67991721
(2R)-2-hexyl-2-methyl-5-methylideneoxolane
CID 68347841
4-Propyl-2-(4-propylnon-1-en-2-yloxy)non-1-ene
CID 87163988
3-Ethyl-2-(3-ethyloct-1-en-2-yloxy)oct-1-ene
CID 87284908
5-[1-(3-Butyldec-1-en-2-yloxy)ethenyl]dodecane
CID 88798290
(2R)-2-methyl-5-methylidene-2-octyloxolane
CID 89000739
5,7,7-Trimethyl-2-(5,7,7-trimethyloct-1-en-2-yloxy)oct-1-ene
CID 90022781
3-Ethyl-2-prop-1-en-2-yloxyhept-1-ene
CID 91605523

Frequently Asked Questions

What is the IUPAC name of 5,5,7,7-tetramethyl-2-prop-1-en-2-yloxyoct-1-ene?
The IUPAC name of 5,5,7,7-tetramethyl-2-prop-1-en-2-yloxyoct-1-ene (CID 153393091) is 5,5,7,7-tetramethyl-2-prop-1-en-2-yloxyoct-1-ene.
What is the SMILES notation for 5,5,7,7-tetramethyl-2-prop-1-en-2-yloxyoct-1-ene?
The canonical SMILES for 5,5,7,7-tetramethyl-2-prop-1-en-2-yloxyoct-1-ene is C=C(C)OC(=C)CCC(C)(C)CC(C)(C)C.
What is the InChIKey of 5,5,7,7-tetramethyl-2-prop-1-en-2-yloxyoct-1-ene?
The InChIKey is PWEGYLHUDSJSTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O/c1-12(2)16-13(3)9-10-15(7,8)11-14(4,5)6/h1,3,9-11H2,2,4-8H3.
What are the key properties of 5,5,7,7-tetramethyl-2-prop-1-en-2-yloxyoct-1-ene?
5,5,7,7-tetramethyl-2-prop-1-en-2-yloxyoct-1-ene has a molecular weight of 224.39 g/mol, XLogP of 5.29, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,7,7-tetramethyl-2-prop-1-en-2-yloxyoct-1-ene is sourced from PubChem (CID 153393091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).