(2S,6S)-2-(phenylmethoxymethyl)-6-prop-2-enyloxane

C16H22O2 — CID 11622905

IUPAC(2S,6S)-2-(phenylmethoxymethyl)-6-prop-2-enyloxane
SMILESC=CC[C@@H]1CCC[C@@H](COCc2ccccc2)O1
InChIInChI=1S/C16H22O2/c1-2-7-15-10-6-11-16(18-15)13-17-12-14-8-4-3-5-9-14/h2-5,8-9,15-16H,1,6-7,10-13H2/t15-,16+/m1/s1
InChIKeyFAWLVPXXGSZTJW-CVEARBPZSA-N
MW246.35 g/mol
LogP3.72
Rot. Bonds6

About (2S,6S)-2-(phenylmethoxymethyl)-6-prop-2-enyloxane

(2S,6S)-2-(phenylmethoxymethyl)-6-prop-2-enyloxane (PubChem CID 11622905) has the molecular formula C16H22O2 and a molecular weight of 246.35 g/mol. Its IUPAC name is (2S,6S)-2-(phenylmethoxymethyl)-6-prop-2-enyloxane.

Molecular Properties

Compound Name(2S,6S)-2-(phenylmethoxymethyl)-6-prop-2-enyloxane
PubChem CID11622905
Molecular FormulaC16H22O2
Molecular Weight246.35 g/mol
Exact Mass246.16
IUPAC Name(2S,6S)-2-(phenylmethoxymethyl)-6-prop-2-enyloxane
SMILESC=CC[C@@H]1CCC[C@@H](COCc2ccccc2)O1
InChIInChI=1S/C16H22O2/c1-2-7-15-10-6-11-16(18-15)13-17-12-14-8-4-3-5-9-14/h2-5,8-9,15-16H,1,6-7,10-13H2/t15-,16+/m1/s1
InChIKeyFAWLVPXXGSZTJW-CVEARBPZSA-N
XLogP3.72
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.72
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

(6S)-2-ethyl-6-(phenylmethoxymethyl)oxane
CID 139257658
2-phenylmethoxy-6-(phenylmethoxymethyl)oxane
CID 74402872
(2R,6S)-2-[(1E,3E)-penta-1,3-dienyl]-6-(phenylmethoxymethyl)oxane
CID 102315294
(2R,3R,4S,5R)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-5-prop-2-enyloxolane
CID 11048522
(1S,2S,3R)-3-(phenylmethoxymethyl)-2-prop-2-enylcyclohexan-1-ol
CID 102008593
trimethyl-[[(2R,5S)-5-(phenylmethoxymethyl)oxolan-2-yl]methyl]silane
CID 100983477
5-(phenylmethoxymethyl)-3-prop-2-enyloxolane-2-thione
CID 14373651
(2S,6S)-2-(2-bromoethoxy)-6-(phenylmethoxymethyl)oxane
CID 45113682
(2R,3R,4R,6R)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-6-prop-2-enyloxane
CID 132544102
(2S,6S)-2,6-bis(phenylmethoxymethyl)morpholine
CID 176754636
(2S)-1-[(2R,6S)-6-[(2S)-2-methyl-3-phenylmethoxypropyl]oxan-2-yl]pent-4-en-2-ol
CID 134833558
butyl 2-[(2R,6S)-6-(phenylmethoxymethyl)oxan-2-yl]acetate
CID 102144353

Frequently Asked Questions

What is the IUPAC name of (2S,6S)-2-(phenylmethoxymethyl)-6-prop-2-enyloxane?
The IUPAC name of (2S,6S)-2-(phenylmethoxymethyl)-6-prop-2-enyloxane (CID 11622905) is (2S,6S)-2-(phenylmethoxymethyl)-6-prop-2-enyloxane.
What is the SMILES notation for (2S,6S)-2-(phenylmethoxymethyl)-6-prop-2-enyloxane?
The canonical SMILES for (2S,6S)-2-(phenylmethoxymethyl)-6-prop-2-enyloxane is C=CC[C@@H]1CCC[C@@H](COCc2ccccc2)O1.
What is the InChIKey of (2S,6S)-2-(phenylmethoxymethyl)-6-prop-2-enyloxane?
The InChIKey is FAWLVPXXGSZTJW-CVEARBPZSA-N. The full InChI is InChI=1S/C16H22O2/c1-2-7-15-10-6-11-16(18-15)13-17-12-14-8-4-3-5-9-14/h2-5,8-9,15-16H,1,6-7,10-13H2/t15-,16+/m1/s1.
What are the key properties of (2S,6S)-2-(phenylmethoxymethyl)-6-prop-2-enyloxane?
(2S,6S)-2-(phenylmethoxymethyl)-6-prop-2-enyloxane has a molecular weight of 246.35 g/mol, XLogP of 3.72, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6S)-2-(phenylmethoxymethyl)-6-prop-2-enyloxane is sourced from PubChem (CID 11622905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).