6-ethenyl-2,3,6-trimethyl-2-propyloxane

C13H24O — CID 123947244

IUPAC6-ethenyl-2,3,6-trimethyl-2-propyloxane
SMILESC=CC1(C)CCC(C)C(C)(CCC)O1
InChIInChI=1S/C13H24O/c1-6-9-13(5)11(3)8-10-12(4,7-2)14-13/h7,11H,2,6,8-10H2,1,3-5H3
InChIKeyJNSBDFWOBLBWEU-UHFFFAOYSA-N
MW196.33 g/mol
LogP3.94
Rot. Bonds3

About 6-ethenyl-2,3,6-trimethyl-2-propyloxane

6-ethenyl-2,3,6-trimethyl-2-propyloxane (PubChem CID 123947244) has the molecular formula C13H24O and a molecular weight of 196.33 g/mol. Its IUPAC name is 6-ethenyl-2,3,6-trimethyl-2-propyloxane.

Molecular Properties

Compound Name6-ethenyl-2,3,6-trimethyl-2-propyloxane
PubChem CID123947244
Molecular FormulaC13H24O
Molecular Weight196.33 g/mol
Exact Mass196.18
IUPAC Name6-ethenyl-2,3,6-trimethyl-2-propyloxane
SMILESC=CC1(C)CCC(C)C(C)(CCC)O1
InChIInChI=1S/C13H24O/c1-6-9-13(5)11(3)8-10-12(4,7-2)14-13/h7,11H,2,6,8-10H2,1,3-5H3
InChIKeyJNSBDFWOBLBWEU-UHFFFAOYSA-N
XLogP3.94
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.33
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,6,6-Trimethyl-2-vinyltetrahydropyran
CID 522514
Cabreuva oxide D
CID 21603104
Cabreuva oxide B
CID 15677814
Cabreuva oxide C
CID 21603100
(3S,4aS,8aS)-1,1,3,6-Tetramethyl-3-vinyl-3,4,4a,7,8,8a-hexahydro-1H-isochromene
CID 91700484
Isodactyloxene
CID 24763559
(3S,4aR,8aS)-1,1,3,6-Tetramethyl-3-vinyl-3,4,4a,7,8,8a-hexahydro-1H-isochromene
CID 73798807
(3S,4aR,8aS)-3-ethenyl-1,1,3,6-tetramethyl-4a,7,8,8a-tetrahydro-4H-isochromene
CID 21768274
Dilithium;3-methoxypenta-1,4-dien-3-ylcyclohexane
CID 12506200
2,2,6-Trimethyl-6-prop-2-enyloxane
CID 44604860
Amylvinyl-n-propylather
CID 129649311
2-Dimethyl-3,6-divinyltetrahydropyran
CID 129736181

Frequently Asked Questions

What is the IUPAC name of 6-ethenyl-2,3,6-trimethyl-2-propyloxane?
The IUPAC name of 6-ethenyl-2,3,6-trimethyl-2-propyloxane (CID 123947244) is 6-ethenyl-2,3,6-trimethyl-2-propyloxane.
What is the SMILES notation for 6-ethenyl-2,3,6-trimethyl-2-propyloxane?
The canonical SMILES for 6-ethenyl-2,3,6-trimethyl-2-propyloxane is C=CC1(C)CCC(C)C(C)(CCC)O1.
What is the InChIKey of 6-ethenyl-2,3,6-trimethyl-2-propyloxane?
The InChIKey is JNSBDFWOBLBWEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O/c1-6-9-13(5)11(3)8-10-12(4,7-2)14-13/h7,11H,2,6,8-10H2,1,3-5H3.
What are the key properties of 6-ethenyl-2,3,6-trimethyl-2-propyloxane?
6-ethenyl-2,3,6-trimethyl-2-propyloxane has a molecular weight of 196.33 g/mol, XLogP of 3.94, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethenyl-2,3,6-trimethyl-2-propyloxane is sourced from PubChem (CID 123947244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).