2-[(E)-6-cyclopropylidene-3-methylhex-2-enoxy]oxane

C15H24O2 — CID 56851675

IUPAC2-[(E)-6-cyclopropylidene-3-methylhex-2-enoxy]oxane
SMILESC/C(=C\COC1CCCCO1)CCC=C1CC1
InChIInChI=1S/C15H24O2/c1-13(5-4-6-14-8-9-14)10-12-17-15-7-2-3-11-16-15/h6,10,15H,2-5,7-9,11-12H2,1H3/b13-10+
InChIKeyHGJHGXHFTZWJFF-JLHYYAGUSA-N
MW236.35 g/mol
LogP3.98
Rot. Bonds6

About 2-[(E)-6-cyclopropylidene-3-methylhex-2-enoxy]oxane

2-[(E)-6-cyclopropylidene-3-methylhex-2-enoxy]oxane (PubChem CID 56851675) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is 2-[(E)-6-cyclopropylidene-3-methylhex-2-enoxy]oxane.

Molecular Properties

Compound Name2-[(E)-6-cyclopropylidene-3-methylhex-2-enoxy]oxane
PubChem CID56851675
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name2-[(E)-6-cyclopropylidene-3-methylhex-2-enoxy]oxane
SMILESC/C(=C\COC1CCCCO1)CCC=C1CC1
InChIInChI=1S/C15H24O2/c1-13(5-4-6-14-8-9-14)10-12-17-15-7-2-3-11-16-15/h6,10,15H,2-5,7-9,11-12H2,1H3/b13-10+
InChIKeyHGJHGXHFTZWJFF-JLHYYAGUSA-N
XLogP3.98
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 53.98
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

(Z)-2-methyl-4-(oxan-2-yloxy)but-2-en-1-ol
CID 59748857
2-[(2E,6Z)-7-(fluoromethyl)-3,11-dimethyldodeca-2,6,10-trienoxy]oxane
CID 25227676
[(2E,6Z)-2,6-dimethyl-8-(oxan-2-yloxy)octa-2,6-dienyl] acetate
CID 10469860
2,7,11-trimethyl-13-(oxan-2-yloxy)trideca-2,7,11-trien-4-one
CID 54387343
(2S)-2-[(E)-5-[(2R)-3,3-dimethyloxiran-2-yl]-3-methylpent-2-enoxy]oxane
CID 93475878
2,9,13-trimethyl-15-(oxan-2-yloxy)pentadeca-2,9,13-trien-6-ol
CID 70162877
1-(4-bromophenyl)-2,6-dimethyl-8-(oxan-2-yloxy)octa-2,6-dien-1-one
CID 54117714
tert-butyl-dimethyl-[(4E,8E,12E)-4,8,12-trimethyl-14-(oxan-2-yloxy)tetradeca-4,8,12-trienoxy]silane
CID 10928713
7,11-dimethyl-13-(oxan-2-yloxy)trideca-7,11-dien-1-yn-4-ol
CID 54406454
[(7E,11E)-7,11-dimethyl-13-(oxan-2-yloxy)trideca-7,11-dien-1-ynyl]-trimethylsilane
CID 138963665
(2Z,6Z)-3,7-dimethyl-8-(oxan-2-yloxy)octa-2,6-dien-1-ol
CID 122523167
[(2E,6E)-2,6-dimethyl-8-(oxan-2-yloxy)octa-2,6-dienyl] 4-methylbenzenesulfonate
CID 11246822

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-6-cyclopropylidene-3-methylhex-2-enoxy]oxane?
The IUPAC name of 2-[(E)-6-cyclopropylidene-3-methylhex-2-enoxy]oxane (CID 56851675) is 2-[(E)-6-cyclopropylidene-3-methylhex-2-enoxy]oxane.
What is the SMILES notation for 2-[(E)-6-cyclopropylidene-3-methylhex-2-enoxy]oxane?
The canonical SMILES for 2-[(E)-6-cyclopropylidene-3-methylhex-2-enoxy]oxane is C/C(=C\COC1CCCCO1)CCC=C1CC1.
What is the InChIKey of 2-[(E)-6-cyclopropylidene-3-methylhex-2-enoxy]oxane?
The InChIKey is HGJHGXHFTZWJFF-JLHYYAGUSA-N. The full InChI is InChI=1S/C15H24O2/c1-13(5-4-6-14-8-9-14)10-12-17-15-7-2-3-11-16-15/h6,10,15H,2-5,7-9,11-12H2,1H3/b13-10+.
What are the key properties of 2-[(E)-6-cyclopropylidene-3-methylhex-2-enoxy]oxane?
2-[(E)-6-cyclopropylidene-3-methylhex-2-enoxy]oxane has a molecular weight of 236.35 g/mol, XLogP of 3.98, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-6-cyclopropylidene-3-methylhex-2-enoxy]oxane is sourced from PubChem (CID 56851675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).