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

C19H26O2 — CID 11335159

IUPAC(2S,6R)-2-[(2R)-2-methyl-3-phenylmethoxypropyl]-6-prop-2-enyl-3,6-dihydro-2H-pyran
SMILESC=CC[C@@H]1C=CC[C@@H](C[C@@H](C)COCc2ccccc2)O1
InChIInChI=1S/C19H26O2/c1-3-8-18-11-7-12-19(21-18)13-16(2)14-20-15-17-9-5-4-6-10-17/h3-7,9-11,16,18-19H,1,8,12-15H2,2H3/t16-,18-,19+/m1/s1
InChIKeyNIJBLEDNGQBSGM-QRQLOZEOSA-N
MW286.41 g/mol
LogP4.52
Rot. Bonds8

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

(2S,6R)-2-[(2R)-2-methyl-3-phenylmethoxypropyl]-6-prop-2-enyl-3,6-dihydro-2H-pyran (PubChem CID 11335159) has the molecular formula C19H26O2 and a molecular weight of 286.41 g/mol. Its IUPAC name is (2S,6R)-2-[(2R)-2-methyl-3-phenylmethoxypropyl]-6-prop-2-enyl-3,6-dihydro-2H-pyran.

Molecular Properties

Compound Name(2S,6R)-2-[(2R)-2-methyl-3-phenylmethoxypropyl]-6-prop-2-enyl-3,6-dihydro-2H-pyran
PubChem CID11335159
Molecular FormulaC19H26O2
Molecular Weight286.41 g/mol
Exact Mass286.19
IUPAC Name(2S,6R)-2-[(2R)-2-methyl-3-phenylmethoxypropyl]-6-prop-2-enyl-3,6-dihydro-2H-pyran
SMILESC=CC[C@@H]1C=CC[C@@H](C[C@@H](C)COCc2ccccc2)O1
InChIInChI=1S/C19H26O2/c1-3-8-18-11-7-12-19(21-18)13-16(2)14-20-15-17-9-5-4-6-10-17/h3-7,9-11,16,18-19H,1,8,12-15H2,2H3/t16-,18-,19+/m1/s1
InChIKeyNIJBLEDNGQBSGM-QRQLOZEOSA-N
XLogP4.52
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.41
LogP ≤ 54.52
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,6S)-6-ethoxy-2-[(2R)-2-methyl-3-phenylmethoxypropyl]-3,6-dihydro-2H-pyran
CID 101171403
(2S)-1-[(2R,6S)-6-[(2S)-2-methyl-3-phenylmethoxypropyl]oxan-2-yl]pent-4-en-2-ol
CID 134833558
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
ethyl (4S)-4-methyl-2-methylidene-5-[(2R,6R)-6-(2-phenylmethoxyethyl)-3,6-dihydro-2H-pyran-2-yl]pentanoate
CID 11451580
2-[(2R,6R)-2-(3-phenylmethoxypropyl)-3,6-dihydro-2H-pyran-6-yl]acetaldehyde
CID 10588392
tert-butyl-diphenyl-[2-[(2R,6S)-6-prop-2-enyl-3,6-dihydro-2H-pyran-2-yl]ethoxy]silane
CID 122400498
(2R,3R,4S,5R)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-5-prop-2-enyloxolane
CID 11048522
2-[(2R)-2-methyl-3-phenylmethoxypropyl]-1,3-dithiane
CID 10517049
(2S,6S)-2-(phenylmethoxymethyl)-6-prop-2-enyloxane
CID 11622905
(2S,6R)-6-benzyl-2-ethyl-3,6-dihydro-2H-pyran
CID 56837491
CID 89311949
CID 89311949
[(2R)-3-iodo-2-methylpropoxy]methylbenzene
CID 10334380

Frequently Asked Questions

What is the IUPAC name of (2S,6R)-2-[(2R)-2-methyl-3-phenylmethoxypropyl]-6-prop-2-enyl-3,6-dihydro-2H-pyran?
The IUPAC name of (2S,6R)-2-[(2R)-2-methyl-3-phenylmethoxypropyl]-6-prop-2-enyl-3,6-dihydro-2H-pyran (CID 11335159) is (2S,6R)-2-[(2R)-2-methyl-3-phenylmethoxypropyl]-6-prop-2-enyl-3,6-dihydro-2H-pyran.
What is the SMILES notation for (2S,6R)-2-[(2R)-2-methyl-3-phenylmethoxypropyl]-6-prop-2-enyl-3,6-dihydro-2H-pyran?
The canonical SMILES for (2S,6R)-2-[(2R)-2-methyl-3-phenylmethoxypropyl]-6-prop-2-enyl-3,6-dihydro-2H-pyran is C=CC[C@@H]1C=CC[C@@H](C[C@@H](C)COCc2ccccc2)O1.
What is the InChIKey of (2S,6R)-2-[(2R)-2-methyl-3-phenylmethoxypropyl]-6-prop-2-enyl-3,6-dihydro-2H-pyran?
The InChIKey is NIJBLEDNGQBSGM-QRQLOZEOSA-N. The full InChI is InChI=1S/C19H26O2/c1-3-8-18-11-7-12-19(21-18)13-16(2)14-20-15-17-9-5-4-6-10-17/h3-7,9-11,16,18-19H,1,8,12-15H2,2H3/t16-,18-,19+/m1/s1.
What are the key properties of (2S,6R)-2-[(2R)-2-methyl-3-phenylmethoxypropyl]-6-prop-2-enyl-3,6-dihydro-2H-pyran?
(2S,6R)-2-[(2R)-2-methyl-3-phenylmethoxypropyl]-6-prop-2-enyl-3,6-dihydro-2H-pyran has a molecular weight of 286.41 g/mol, XLogP of 4.52, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-2-[(2R)-2-methyl-3-phenylmethoxypropyl]-6-prop-2-enyl-3,6-dihydro-2H-pyran is sourced from PubChem (CID 11335159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).