2-[(Z)-3-(2-methylphenyl)but-2-enoxy]oxane

C16H22O2 — CID 102509927

IUPAC2-[(Z)-3-(2-methylphenyl)but-2-enoxy]oxane
SMILESC/C(=C/COC1CCCCO1)c1ccccc1C
InChIInChI=1S/C16H22O2/c1-13-7-3-4-8-15(13)14(2)10-12-18-16-9-5-6-11-17-16/h3-4,7-8,10,16H,5-6,9,11-12H2,1-2H3/b14-10-
InChIKeyCVJLBBSSXMMYFW-UVTDQMKNSA-N
MW246.35 g/mol
LogP3.94
Rot. Bonds4

About 2-[(Z)-3-(2-methylphenyl)but-2-enoxy]oxane

2-[(Z)-3-(2-methylphenyl)but-2-enoxy]oxane (PubChem CID 102509927) has the molecular formula C16H22O2 and a molecular weight of 246.35 g/mol. Its IUPAC name is 2-[(Z)-3-(2-methylphenyl)but-2-enoxy]oxane.

Molecular Properties

Compound Name2-[(Z)-3-(2-methylphenyl)but-2-enoxy]oxane
PubChem CID102509927
Molecular FormulaC16H22O2
Molecular Weight246.35 g/mol
Exact Mass246.16
IUPAC Name2-[(Z)-3-(2-methylphenyl)but-2-enoxy]oxane
SMILESC/C(=C/COC1CCCCO1)c1ccccc1C
InChIInChI=1S/C16H22O2/c1-13-7-3-4-8-15(13)14(2)10-12-18-16-9-5-6-11-17-16/h3-4,7-8,10,16H,5-6,9,11-12H2,1-2H3/b14-10-
InChIKeyCVJLBBSSXMMYFW-UVTDQMKNSA-N
XLogP3.94
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(Z)-2-methyl-4-(oxan-2-yloxy)but-2-en-1-ol
CID 59748857
2-[(E)-3-(4-tert-butylcyclohexen-1-yl)but-2-enoxy]oxane
CID 102509937
4-(oxan-2-yloxy)-1-phenylbut-2-en-1-ol
CID 85204875
(Z)-4-(oxan-2-yloxy)-1-phenylbut-2-en-1-ol
CID 10610568
3-methyl-2-[2-(oxan-2-yloxy)ethoxymethyl]benzoic acid
CID 122573168
2-[(E)-4-(oxan-2-yloxy)but-2-enoxy]oxane
CID 14103518
(Z)-4-(oxan-2-yloxy)-2-thiophen-2-ylbut-2-enal
CID 10753319
2-[(E)-6-cyclopropylidene-3-methylhex-2-enoxy]oxane
CID 56851675
2-[4-(oxan-2-yloxy)butoxy]benzoate
CID 22152020
1-[4-[(E)-3-(oxan-2-yloxy)prop-1-enyl]phenyl]ethanone
CID 11817824
tert-butyl-[(2E)-2-[2-(oxan-2-yloxy)ethylidene]pentoxy]-diphenylsilane
CID 171813189
2-[(2E,4E)-6-(oxan-2-yloxy)hexa-2,4-dienoxy]oxane
CID 14026777

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-3-(2-methylphenyl)but-2-enoxy]oxane?
The IUPAC name of 2-[(Z)-3-(2-methylphenyl)but-2-enoxy]oxane (CID 102509927) is 2-[(Z)-3-(2-methylphenyl)but-2-enoxy]oxane.
What is the SMILES notation for 2-[(Z)-3-(2-methylphenyl)but-2-enoxy]oxane?
The canonical SMILES for 2-[(Z)-3-(2-methylphenyl)but-2-enoxy]oxane is C/C(=C/COC1CCCCO1)c1ccccc1C.
What is the InChIKey of 2-[(Z)-3-(2-methylphenyl)but-2-enoxy]oxane?
The InChIKey is CVJLBBSSXMMYFW-UVTDQMKNSA-N. The full InChI is InChI=1S/C16H22O2/c1-13-7-3-4-8-15(13)14(2)10-12-18-16-9-5-6-11-17-16/h3-4,7-8,10,16H,5-6,9,11-12H2,1-2H3/b14-10-.
What are the key properties of 2-[(Z)-3-(2-methylphenyl)but-2-enoxy]oxane?
2-[(Z)-3-(2-methylphenyl)but-2-enoxy]oxane has a molecular weight of 246.35 g/mol, XLogP of 3.94, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-3-(2-methylphenyl)but-2-enoxy]oxane is sourced from PubChem (CID 102509927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).