(2S,3S,6R)-2-decyl-6-ethenyl-3-phenylmethoxyoxane

C24H38O2 — CID 101334126

IUPAC(2S,3S,6R)-2-decyl-6-ethenyl-3-phenylmethoxyoxane
SMILESC=C[C@H]1CC[C@H](OCc2ccccc2)[C@H](CCCCCCCCCC)O1
InChIInChI=1S/C24H38O2/c1-3-5-6-7-8-9-10-14-17-24-23(19-18-22(4-2)26-24)25-20-21-15-12-11-13-16-21/h4,11-13,15-16,22-24H,2-3,5-10,14,17-20H2,1H3/t22-,23-,24-/m0/s1
InChIKeyJUESUOJUXGCHEF-HJOGWXRNSA-N
MW358.57 g/mol
LogP6.84
Rot. Bonds13

About (2S,3S,6R)-2-decyl-6-ethenyl-3-phenylmethoxyoxane

(2S,3S,6R)-2-decyl-6-ethenyl-3-phenylmethoxyoxane (PubChem CID 101334126) has the molecular formula C24H38O2 and a molecular weight of 358.57 g/mol. Its IUPAC name is (2S,3S,6R)-2-decyl-6-ethenyl-3-phenylmethoxyoxane.

Molecular Properties

Compound Name(2S,3S,6R)-2-decyl-6-ethenyl-3-phenylmethoxyoxane
PubChem CID101334126
Molecular FormulaC24H38O2
Molecular Weight358.57 g/mol
Exact Mass358.29
IUPAC Name(2S,3S,6R)-2-decyl-6-ethenyl-3-phenylmethoxyoxane
SMILESC=C[C@H]1CC[C@H](OCc2ccccc2)[C@H](CCCCCCCCCC)O1
InChIInChI=1S/C24H38O2/c1-3-5-6-7-8-9-10-14-17-24-23(19-18-22(4-2)26-24)25-20-21-15-12-11-13-16-21/h4,11-13,15-16,22-24H,2-3,5-10,14,17-20H2,1H3/t22-,23-,24-/m0/s1
InChIKeyJUESUOJUXGCHEF-HJOGWXRNSA-N
XLogP6.84
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.57
LogP ≤ 56.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R,3R,6R)-6-ethenyl-2-pentyl-3-phenylmethoxyoxane
CID 134843487
(1S)-1-[(2S,3R,6S)-2-decyl-3-phenylmethoxy-3,6-dihydro-2H-pyran-6-yl]prop-2-en-1-ol
CID 11710777
(3S,6S)-3-dodecyl-6-methoxy-7-phenylmethoxy-2,5-dioxabicyclo[2.2.1]heptane
CID 102428131
(2S,3S,4R,5R)-5-(hexadecoxymethyl)-3,4-bis(phenylmethoxy)oxolane-2-carbaldehyde
CID 101388975
(2R,3S,5R)-5-ethenyl-3-phenylmethoxy-2-(phenylmethoxymethyl)oxolane
CID 11771686
[(2S,3R,6R)-6-dodecyl-3-phenylmethoxypiperidin-2-yl]methanol
CID 11165190
(2R,3S,6R)-2-[(Z)-hept-3-enyl]-6-[(2-methylpropan-2-yl)oxy]-3-phenylmethoxyoxane
CID 101203793
(2S,3R,4S,6S)-6-ethenyl-2-methoxy-3,4-bis(phenylmethoxy)oxane
CID 46914368
(2R,3S,4R)-6-pentoxy-2-(pentoxymethyl)-3,4-bis(phenylmethoxy)oxane
CID 121434659
(2R,3R,4S,5S,6R)-2-[(2S)-2,3-di(tetradecoxy)propoxy]-3,5-bis(phenylmethoxy)-4-prop-2-enoxy-6-(prop-2-enoxymethyl)oxane
CID 131723888
(2R,3S,4R,6Z)-6-octadecylidene-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxane
CID 101055694
(2R,3S,4S,5R,6S)-2-ethenyl-6-methoxy-3,4,5-tris(phenylmethoxy)oxane
CID 14216835

Frequently Asked Questions

What is the IUPAC name of (2S,3S,6R)-2-decyl-6-ethenyl-3-phenylmethoxyoxane?
The IUPAC name of (2S,3S,6R)-2-decyl-6-ethenyl-3-phenylmethoxyoxane (CID 101334126) is (2S,3S,6R)-2-decyl-6-ethenyl-3-phenylmethoxyoxane.
What is the SMILES notation for (2S,3S,6R)-2-decyl-6-ethenyl-3-phenylmethoxyoxane?
The canonical SMILES for (2S,3S,6R)-2-decyl-6-ethenyl-3-phenylmethoxyoxane is C=C[C@H]1CC[C@H](OCc2ccccc2)[C@H](CCCCCCCCCC)O1.
What is the InChIKey of (2S,3S,6R)-2-decyl-6-ethenyl-3-phenylmethoxyoxane?
The InChIKey is JUESUOJUXGCHEF-HJOGWXRNSA-N. The full InChI is InChI=1S/C24H38O2/c1-3-5-6-7-8-9-10-14-17-24-23(19-18-22(4-2)26-24)25-20-21-15-12-11-13-16-21/h4,11-13,15-16,22-24H,2-3,5-10,14,17-20H2,1H3/t22-,23-,24-/m0/s1.
What are the key properties of (2S,3S,6R)-2-decyl-6-ethenyl-3-phenylmethoxyoxane?
(2S,3S,6R)-2-decyl-6-ethenyl-3-phenylmethoxyoxane has a molecular weight of 358.57 g/mol, XLogP of 6.84, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,6R)-2-decyl-6-ethenyl-3-phenylmethoxyoxane is sourced from PubChem (CID 101334126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).