(2R)-2-[(Z)-2-phenylethenyl]oxane

C13H16O — CID 135075421

IUPAC(2R)-2-[(Z)-2-phenylethenyl]oxane
SMILESC(=C\[C@H]1CCCCO1)\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-/t13-/m1/s1
InChIKeyPABUXBDZKKDNAF-ASCRHOAZSA-N
MW188.27 g/mol
LogP3.27
Rot. Bonds2

About (2R)-2-[(Z)-2-phenylethenyl]oxane

(2R)-2-[(Z)-2-phenylethenyl]oxane (PubChem CID 135075421) has the molecular formula C13H16O and a molecular weight of 188.27 g/mol. Its IUPAC name is (2R)-2-[(Z)-2-phenylethenyl]oxane.

Molecular Properties

Compound Name(2R)-2-[(Z)-2-phenylethenyl]oxane
PubChem CID135075421
Molecular FormulaC13H16O
Molecular Weight188.27 g/mol
Exact Mass188.12
IUPAC Name(2R)-2-[(Z)-2-phenylethenyl]oxane
SMILESC(=C\[C@H]1CCCCO1)\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-/t13-/m1/s1
InChIKeyPABUXBDZKKDNAF-ASCRHOAZSA-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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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(Z)-2-phenylethenyl]oxane?
The IUPAC name of (2R)-2-[(Z)-2-phenylethenyl]oxane (CID 135075421) is (2R)-2-[(Z)-2-phenylethenyl]oxane.
What is the SMILES notation for (2R)-2-[(Z)-2-phenylethenyl]oxane?
The canonical SMILES for (2R)-2-[(Z)-2-phenylethenyl]oxane is C(=C\[C@H]1CCCCO1)\c1ccccc1.
What is the InChIKey of (2R)-2-[(Z)-2-phenylethenyl]oxane?
The InChIKey is PABUXBDZKKDNAF-ASCRHOAZSA-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-/t13-/m1/s1.
What are the key properties of (2R)-2-[(Z)-2-phenylethenyl]oxane?
(2R)-2-[(Z)-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 (2R)-2-[(Z)-2-phenylethenyl]oxane is sourced from PubChem (CID 135075421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).