(2S,4S)-4-phenylmethoxy-2-prop-2-enyloxolane

C14H18O2 — CID 134931553

IUPAC(2S,4S)-4-phenylmethoxy-2-prop-2-enyloxolane
SMILESC=CC[C@H]1C[C@H](OCc2ccccc2)CO1
InChIInChI=1S/C14H18O2/c1-2-6-13-9-14(11-16-13)15-10-12-7-4-3-5-8-12/h2-5,7-8,13-14H,1,6,9-11H2/t13-,14-/m0/s1
InChIKeyXGVNWKJGQJKTHJ-KBPBESRZSA-N
MW218.30 g/mol
LogP2.94
Rot. Bonds5

About (2S,4S)-4-phenylmethoxy-2-prop-2-enyloxolane

(2S,4S)-4-phenylmethoxy-2-prop-2-enyloxolane (PubChem CID 134931553) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is (2S,4S)-4-phenylmethoxy-2-prop-2-enyloxolane.

Molecular Properties

Compound Name(2S,4S)-4-phenylmethoxy-2-prop-2-enyloxolane
PubChem CID134931553
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name(2S,4S)-4-phenylmethoxy-2-prop-2-enyloxolane
SMILESC=CC[C@H]1C[C@H](OCc2ccccc2)CO1
InChIInChI=1S/C14H18O2/c1-2-6-13-9-14(11-16-13)15-10-12-7-4-3-5-8-12/h2-5,7-8,13-14H,1,6,9-11H2/t13-,14-/m0/s1
InChIKeyXGVNWKJGQJKTHJ-KBPBESRZSA-N
XLogP2.94
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.94
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

(2S,4S)-2-methyl-4-phenylmethoxyoxolane
CID 25180326
(5S)-5-phenylmethoxyoxan-2-ol
CID 138637450
(2R,3R,4R,6R)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-6-prop-2-enyloxane
CID 132544102
4-phenylmethoxy-1-prop-2-enylpiperidine
CID 57075697
(2S,3R,5S)-5-[(2E)-2-ethenylpenta-2,4-dienoxy]-3-phenylmethoxyoxan-2-ol
CID 165116967
2,4-bis(phenylmethoxy)oxane
CID 123735835
3-phenylmethoxy-6-oxabicyclo[3.1.0]hexane
CID 12882576
(5S)-3-phenylmethoxy-6-oxabicyclo[3.1.0]hexane
CID 122657901
(2R,3R,4S,5R)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-5-prop-2-enyloxolane
CID 11048522
(2S,6S)-2-(phenylmethoxymethyl)-6-prop-2-enyloxane
CID 11622905
(3-chlorocyclobutyl)oxymethylbenzene
CID 66344030
3-phenylmethoxycyclopentan-1-amine
CID 79421215

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-phenylmethoxy-2-prop-2-enyloxolane?
The IUPAC name of (2S,4S)-4-phenylmethoxy-2-prop-2-enyloxolane (CID 134931553) is (2S,4S)-4-phenylmethoxy-2-prop-2-enyloxolane.
What is the SMILES notation for (2S,4S)-4-phenylmethoxy-2-prop-2-enyloxolane?
The canonical SMILES for (2S,4S)-4-phenylmethoxy-2-prop-2-enyloxolane is C=CC[C@H]1C[C@H](OCc2ccccc2)CO1.
What is the InChIKey of (2S,4S)-4-phenylmethoxy-2-prop-2-enyloxolane?
The InChIKey is XGVNWKJGQJKTHJ-KBPBESRZSA-N. The full InChI is InChI=1S/C14H18O2/c1-2-6-13-9-14(11-16-13)15-10-12-7-4-3-5-8-12/h2-5,7-8,13-14H,1,6,9-11H2/t13-,14-/m0/s1.
What are the key properties of (2S,4S)-4-phenylmethoxy-2-prop-2-enyloxolane?
(2S,4S)-4-phenylmethoxy-2-prop-2-enyloxolane has a molecular weight of 218.30 g/mol, XLogP of 2.94, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-phenylmethoxy-2-prop-2-enyloxolane is sourced from PubChem (CID 134931553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).