2-[(E)-2-phenylethenyl]oxane

C13H16O — CID 11805491

IUPAC2-[(E)-2-phenylethenyl]oxane
SMILESC(=C/C1CCCCO1)\c1ccccc1
InChIInChI=1S/C13H16O/c1-2-6-12(7-3-1)9-10-13-8-4-5-11-14-13/h1-3,6-7,9-10,13H,4-5,8,11H2/b10-9+
InChIKeyPABUXBDZKKDNAF-MDZDMXLPSA-N
MW188.27 g/mol
LogP3.27
Rot. Bonds2

About 2-[(E)-2-phenylethenyl]oxane

2-[(E)-2-phenylethenyl]oxane (PubChem CID 11805491) has the molecular formula C13H16O and a molecular weight of 188.27 g/mol. Its IUPAC name is 2-[(E)-2-phenylethenyl]oxane.

Molecular Properties

Compound Name2-[(E)-2-phenylethenyl]oxane
PubChem CID11805491
Molecular FormulaC13H16O
Molecular Weight188.27 g/mol
Exact Mass188.12
IUPAC Name2-[(E)-2-phenylethenyl]oxane
SMILESC(=C/C1CCCCO1)\c1ccccc1
InChIInChI=1S/C13H16O/c1-2-6-12(7-3-1)9-10-13-8-4-5-11-14-13/h1-3,6-7,9-10,13H,4-5,8,11H2/b10-9+
InChIKeyPABUXBDZKKDNAF-MDZDMXLPSA-N
XLogP3.27
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Benzyl butyl ether
CID 61134
Cyclohexyl cinnamate
CID 5357153
Allyl benzyl ether
CID 84542
Benzene, (1-ethoxyethyl)-
CID 18693
Bis(1-phenylethyl) ether
CID 62342
Benzene, [2-(cyclohexyloxy)ethyl]-
CID 166527
Benzene, [2-(1-methylethoxy)ethyl]-
CID 106442
2H-Pyran, 3,6-dihydro-4-methyl-2-phenyl-
CID 108443
2H-Pyran, tetrahydro-2-methyl-4-methylene-6-phenyl-
CID 121777
Benzyl tetrahydropyran
CID 12284886
2H-Pyran, tetrahydro-4-methyl-2-phenyl-, (2R,4S)-rel-
CID 15640305
2H-Pyran, 3,6-dihydro-2,4-dimethyl-6-phenyl-
CID 107069

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-phenylethenyl]oxane?
The IUPAC name of 2-[(E)-2-phenylethenyl]oxane (CID 11805491) is 2-[(E)-2-phenylethenyl]oxane.
What is the SMILES notation for 2-[(E)-2-phenylethenyl]oxane?
The canonical SMILES for 2-[(E)-2-phenylethenyl]oxane is C(=C/C1CCCCO1)\c1ccccc1.
What is the InChIKey of 2-[(E)-2-phenylethenyl]oxane?
The InChIKey is PABUXBDZKKDNAF-MDZDMXLPSA-N. The full InChI is InChI=1S/C13H16O/c1-2-6-12(7-3-1)9-10-13-8-4-5-11-14-13/h1-3,6-7,9-10,13H,4-5,8,11H2/b10-9+.
What are the key properties of 2-[(E)-2-phenylethenyl]oxane?
2-[(E)-2-phenylethenyl]oxane has a molecular weight of 188.27 g/mol, XLogP of 3.27, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-phenylethenyl]oxane is sourced from PubChem (CID 11805491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).