(2S,3R,4S,5S)-4-[(E)-dec-1-enyl]-2-methoxy-5-methyloxan-3-ol

C17H32O3 — CID 67805624

IUPAC(2S,3R,4S,5S)-4-[(E)-dec-1-enyl]-2-methoxy-5-methyloxan-3-ol
SMILESCCCCCCCC/C=C/[C@@H]1[C@@H](O)[C@@H](OC)OC[C@H]1C
InChIInChI=1S/C17H32O3/c1-4-5-6-7-8-9-10-11-12-15-14(2)13-20-17(19-3)16(15)18/h11-12,14-18H,4-10,13H2,1-3H3/b12-11+/t14-,15+,16-,17+/m1/s1
InChIKeyMLBMYATULDUUMZ-JBVUFGPBSA-N
MW284.44 g/mol
LogP3.91
Rot. Bonds9

About (2S,3R,4S,5S)-4-[(E)-dec-1-enyl]-2-methoxy-5-methyloxan-3-ol

(2S,3R,4S,5S)-4-[(E)-dec-1-enyl]-2-methoxy-5-methyloxan-3-ol (PubChem CID 67805624) has the molecular formula C17H32O3 and a molecular weight of 284.44 g/mol. Its IUPAC name is (2S,3R,4S,5S)-4-[(E)-dec-1-enyl]-2-methoxy-5-methyloxan-3-ol.

Molecular Properties

Compound Name(2S,3R,4S,5S)-4-[(E)-dec-1-enyl]-2-methoxy-5-methyloxan-3-ol
PubChem CID67805624
Molecular FormulaC17H32O3
Molecular Weight284.44 g/mol
Exact Mass284.24
IUPAC Name(2S,3R,4S,5S)-4-[(E)-dec-1-enyl]-2-methoxy-5-methyloxan-3-ol
SMILESCCCCCCCC/C=C/[C@@H]1[C@@H](O)[C@@H](OC)OC[C@H]1C
InChIInChI=1S/C17H32O3/c1-4-5-6-7-8-9-10-11-12-15-14(2)13-20-17(19-3)16(15)18/h11-12,14-18H,4-10,13H2,1-3H3/b12-11+/t14-,15+,16-,17+/m1/s1
InChIKeyMLBMYATULDUUMZ-JBVUFGPBSA-N
XLogP3.91
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

(2S,3R,4S,5S)-4-methoxy-5-methyl-2-non-1-enyloxan-3-amine
CID 67672310
(2S,3R,4S,5S)-4-methoxy-5-methyl-2-undec-1-enyloxan-3-amine
CID 67674235
[(3S,4R,5R)-3,4,5-trihydroxyoxan-2-yl] (9Z,12Z)-octadeca-9,12-dienoate
CID 141182457
(3S,4S,5S,8S)-8-[(E)-hept-1-enyl]-4-methoxy-5-methyl-1,7-dioxaspiro[2.5]octane
CID 22855992
[(2S,3R,4S,5S)-2-[(E)-dec-1-enyl]-4-methoxy-5-methyloxan-3-yl] 2-aminoacetate
CID 67673864
[(2R,3R,4R,5S)-2-dec-1-enyl-4-methoxy-5-methyloxan-3-yl] 2-aminoacetate
CID 67879762
2-[(E)-undec-1-enyl]-1,3-dioxolane
CID 170873891
(2S,3R,4R,5S)-4-methoxy-5-methyl-2-nonyloxan-3-ol
CID 57068245
(2R,3S,4S,5R)-2-(hydroxymethyl)-6-methoxy-5-[(Z)-octadec-11-enoxy]oxane-3,4-diol
CID 141122499
[(3R,6S)-3-methyl-6-[(E)-non-1-enyl]-3,6-dihydro-2H-pyran-5-yl]methanol
CID 67805506
2-(heptoxymethyl)-4-methoxy-5-methyloxan-3-ol
CID 19699711
4-hept-1-enyloxetan-2-ol
CID 140814520

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S,5S)-4-[(E)-dec-1-enyl]-2-methoxy-5-methyloxan-3-ol?
The IUPAC name of (2S,3R,4S,5S)-4-[(E)-dec-1-enyl]-2-methoxy-5-methyloxan-3-ol (CID 67805624) is (2S,3R,4S,5S)-4-[(E)-dec-1-enyl]-2-methoxy-5-methyloxan-3-ol.
What is the SMILES notation for (2S,3R,4S,5S)-4-[(E)-dec-1-enyl]-2-methoxy-5-methyloxan-3-ol?
The canonical SMILES for (2S,3R,4S,5S)-4-[(E)-dec-1-enyl]-2-methoxy-5-methyloxan-3-ol is CCCCCCCC/C=C/[C@@H]1[C@@H](O)[C@@H](OC)OC[C@H]1C.
What is the InChIKey of (2S,3R,4S,5S)-4-[(E)-dec-1-enyl]-2-methoxy-5-methyloxan-3-ol?
The InChIKey is MLBMYATULDUUMZ-JBVUFGPBSA-N. The full InChI is InChI=1S/C17H32O3/c1-4-5-6-7-8-9-10-11-12-15-14(2)13-20-17(19-3)16(15)18/h11-12,14-18H,4-10,13H2,1-3H3/b12-11+/t14-,15+,16-,17+/m1/s1.
What are the key properties of (2S,3R,4S,5S)-4-[(E)-dec-1-enyl]-2-methoxy-5-methyloxan-3-ol?
(2S,3R,4S,5S)-4-[(E)-dec-1-enyl]-2-methoxy-5-methyloxan-3-ol has a molecular weight of 284.44 g/mol, XLogP of 3.91, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S,5S)-4-[(E)-dec-1-enyl]-2-methoxy-5-methyloxan-3-ol is sourced from PubChem (CID 67805624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).