2,5-bis[(2-methylpropan-2-yl)oxy]hex-3-ene

C14H28O2 — CID 56627969

IUPAC2,5-bis[(2-methylpropan-2-yl)oxy]hex-3-ene
SMILESCC(C=CC(C)OC(C)(C)C)OC(C)(C)C
InChIInChI=1S/C14H28O2/c1-11(15-13(3,4)5)9-10-12(2)16-14(6,7)8/h9-12H,1-8H3
InChIKeyLWFZMTSJWWXDKC-UHFFFAOYSA-N
MW228.38 g/mol
LogP3.95
Rot. Bonds4

About 2,5-bis[(2-methylpropan-2-yl)oxy]hex-3-ene

2,5-bis[(2-methylpropan-2-yl)oxy]hex-3-ene (PubChem CID 56627969) has the molecular formula C14H28O2 and a molecular weight of 228.38 g/mol. Its IUPAC name is 2,5-bis[(2-methylpropan-2-yl)oxy]hex-3-ene.

Molecular Properties

Compound Name2,5-bis[(2-methylpropan-2-yl)oxy]hex-3-ene
PubChem CID56627969
Molecular FormulaC14H28O2
Molecular Weight228.38 g/mol
Exact Mass228.21
IUPAC Name2,5-bis[(2-methylpropan-2-yl)oxy]hex-3-ene
SMILESCC(C=CC(C)OC(C)(C)C)OC(C)(C)C
InChIInChI=1S/C14H28O2/c1-11(15-13(3,4)5)9-10-12(2)16-14(6,7)8/h9-12H,1-8H3
InChIKeyLWFZMTSJWWXDKC-UHFFFAOYSA-N
XLogP3.95
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Ethoxyhexa-3,5-diene
CID 5352776
3-Methyl-3-((3-methyl-2-butenyl)oxy)but-1-ene
CID 118687
2,2-Dimethyl-2,5-dihydrofuran
CID 12871456
1-Isopropoxy-2,7-octadiene
CID 11286698
6,6-Dimethyldihydropyran
CID 12507028
1-Ethoxy-4,4-dimethyl-2-pentene
CID 5358351
2-Pentene, 1-ethoxy-4-methyl-, (Z)-
CID 5365079
5,5-dimethyl-2-propan-2-yl-2H-furan
CID 12507023
6-Ethyl-2,6-dimethyl-2,3-dihydropyran
CID 12507029
2-Ethoxy-3,5-hexadiene
CID 180560
(2E,5E)-3,5-dimethyl-4-prop-2-enoxyhepta-2,5-diene
CID 10954135
3-[(2-Methylpropan-2-yl)oxy]cyclopentene
CID 18541563

Frequently Asked Questions

What is the IUPAC name of 2,5-bis[(2-methylpropan-2-yl)oxy]hex-3-ene?
The IUPAC name of 2,5-bis[(2-methylpropan-2-yl)oxy]hex-3-ene (CID 56627969) is 2,5-bis[(2-methylpropan-2-yl)oxy]hex-3-ene.
What is the SMILES notation for 2,5-bis[(2-methylpropan-2-yl)oxy]hex-3-ene?
The canonical SMILES for 2,5-bis[(2-methylpropan-2-yl)oxy]hex-3-ene is CC(C=CC(C)OC(C)(C)C)OC(C)(C)C.
What is the InChIKey of 2,5-bis[(2-methylpropan-2-yl)oxy]hex-3-ene?
The InChIKey is LWFZMTSJWWXDKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O2/c1-11(15-13(3,4)5)9-10-12(2)16-14(6,7)8/h9-12H,1-8H3.
What are the key properties of 2,5-bis[(2-methylpropan-2-yl)oxy]hex-3-ene?
2,5-bis[(2-methylpropan-2-yl)oxy]hex-3-ene has a molecular weight of 228.38 g/mol, XLogP of 3.95, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis[(2-methylpropan-2-yl)oxy]hex-3-ene is sourced from PubChem (CID 56627969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).