(2S,6S)-6-ethoxy-2-[(2R)-2-methyl-3-phenylmethoxypropyl]-3,6-dihydro-2H-pyran

C18H26O3 — CID 101171403

IUPAC(2S,6S)-6-ethoxy-2-[(2R)-2-methyl-3-phenylmethoxypropyl]-3,6-dihydro-2H-pyran
SMILESCCO[C@@H]1C=CC[C@@H](C[C@@H](C)COCc2ccccc2)O1
InChIInChI=1S/C18H26O3/c1-3-20-18-11-7-10-17(21-18)12-15(2)13-19-14-16-8-5-4-6-9-16/h4-9,11,15,17-18H,3,10,12-14H2,1-2H3/t15-,17+,18+/m1/s1
InChIKeyBGGAMGBVGGTUER-NJAFHUGGSA-N
MW290.40 g/mol
LogP3.94
Rot. Bonds8

About (2S,6S)-6-ethoxy-2-[(2R)-2-methyl-3-phenylmethoxypropyl]-3,6-dihydro-2H-pyran

(2S,6S)-6-ethoxy-2-[(2R)-2-methyl-3-phenylmethoxypropyl]-3,6-dihydro-2H-pyran (PubChem CID 101171403) has the molecular formula C18H26O3 and a molecular weight of 290.40 g/mol. Its IUPAC name is (2S,6S)-6-ethoxy-2-[(2R)-2-methyl-3-phenylmethoxypropyl]-3,6-dihydro-2H-pyran.

Molecular Properties

Compound Name(2S,6S)-6-ethoxy-2-[(2R)-2-methyl-3-phenylmethoxypropyl]-3,6-dihydro-2H-pyran
PubChem CID101171403
Molecular FormulaC18H26O3
Molecular Weight290.40 g/mol
Exact Mass290.19
IUPAC Name(2S,6S)-6-ethoxy-2-[(2R)-2-methyl-3-phenylmethoxypropyl]-3,6-dihydro-2H-pyran
SMILESCCO[C@@H]1C=CC[C@@H](C[C@@H](C)COCc2ccccc2)O1
InChIInChI=1S/C18H26O3/c1-3-20-18-11-7-10-17(21-18)12-15(2)13-19-14-16-8-5-4-6-9-16/h4-9,11,15,17-18H,3,10,12-14H2,1-2H3/t15-,17+,18+/m1/s1
InChIKeyBGGAMGBVGGTUER-NJAFHUGGSA-N
XLogP3.94
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.40
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2S,6R)-2-[(2R)-2-methyl-3-phenylmethoxypropyl]-6-prop-2-enyl-3,6-dihydro-2H-pyran
CID 11335159
ethyl (4S)-4-methyl-2-methylidene-5-[(2R,6R)-6-(2-phenylmethoxyethyl)-3,6-dihydro-2H-pyran-2-yl]pentanoate
CID 11451580
(2S)-1-[(2R,6S)-6-[(2S)-2-methyl-3-phenylmethoxypropyl]oxan-2-yl]pent-4-en-2-ol
CID 134833558
2-[(2R)-2-methyl-3-phenylmethoxypropyl]-1,3-dithiane
CID 10517049
[(2S,6S)-6-phenylmethoxy-3,6-dihydro-2H-pyran-2-yl]methyl 4-methylbenzenesulfonate
CID 101410026
methyl (Z)-4-[(2S,6R)-2-[(2R)-3-[(4-methoxyphenyl)methoxy]-2-methylpropyl]-3,6-dihydro-2H-pyran-6-yl]but-2-enoate
CID 11003283
[(2R)-3-iodo-2-methylpropoxy]methylbenzene
CID 10334380
[(2R)-2-methylheptoxy]methylbenzene
CID 126666980
(S)-[(2S,3R,6S)-6-ethoxy-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran-3-yl]-phenylmethanol
CID 11681901
[3-[1-(bromomethyl)cyclopent-3-en-1-yl]-2-methylpropoxy]methylbenzene
CID 165447178
(2-ethyl-3-methylbutoxy)methylbenzene
CID 90754542
(2S,4S)-2,4-dimethyl-5-phenylmethoxypentanal
CID 25112676

Frequently Asked Questions

What is the IUPAC name of (2S,6S)-6-ethoxy-2-[(2R)-2-methyl-3-phenylmethoxypropyl]-3,6-dihydro-2H-pyran?
The IUPAC name of (2S,6S)-6-ethoxy-2-[(2R)-2-methyl-3-phenylmethoxypropyl]-3,6-dihydro-2H-pyran (CID 101171403) is (2S,6S)-6-ethoxy-2-[(2R)-2-methyl-3-phenylmethoxypropyl]-3,6-dihydro-2H-pyran.
What is the SMILES notation for (2S,6S)-6-ethoxy-2-[(2R)-2-methyl-3-phenylmethoxypropyl]-3,6-dihydro-2H-pyran?
The canonical SMILES for (2S,6S)-6-ethoxy-2-[(2R)-2-methyl-3-phenylmethoxypropyl]-3,6-dihydro-2H-pyran is CCO[C@@H]1C=CC[C@@H](C[C@@H](C)COCc2ccccc2)O1.
What is the InChIKey of (2S,6S)-6-ethoxy-2-[(2R)-2-methyl-3-phenylmethoxypropyl]-3,6-dihydro-2H-pyran?
The InChIKey is BGGAMGBVGGTUER-NJAFHUGGSA-N. The full InChI is InChI=1S/C18H26O3/c1-3-20-18-11-7-10-17(21-18)12-15(2)13-19-14-16-8-5-4-6-9-16/h4-9,11,15,17-18H,3,10,12-14H2,1-2H3/t15-,17+,18+/m1/s1.
What are the key properties of (2S,6S)-6-ethoxy-2-[(2R)-2-methyl-3-phenylmethoxypropyl]-3,6-dihydro-2H-pyran?
(2S,6S)-6-ethoxy-2-[(2R)-2-methyl-3-phenylmethoxypropyl]-3,6-dihydro-2H-pyran has a molecular weight of 290.40 g/mol, XLogP of 3.94, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6S)-6-ethoxy-2-[(2R)-2-methyl-3-phenylmethoxypropyl]-3,6-dihydro-2H-pyran is sourced from PubChem (CID 101171403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).