[(2R,3R,4R,5R)-3,4-dioctoxy-5-undec-10-en-2-yloxolan-2-yl]methanol

C32H62O4 — CID 140687762

IUPAC[(2R,3R,4R,5R)-3,4-dioctoxy-5-undec-10-en-2-yloxolan-2-yl]methanol
SMILESC=CCCCCCCCC(C)[C@H]1O[C@H](CO)[C@@H](OCCCCCCCC)[C@@H]1OCCCCCCCC
InChIInChI=1S/C32H62O4/c1-5-8-11-14-17-18-21-24-28(4)30-32(35-26-23-20-16-13-10-7-3)31(29(27-33)36-30)34-25-22-19-15-12-9-6-2/h5,28-33H,1,6-27H2,2-4H3/t28?,29-,30-,31-,32-/m1/s1
InChIKeySITOLPFMNIJLBY-REHHZZIGSA-N
MW510.84 g/mol
LogP8.79
Rot. Bonds26

About [(2R,3R,4R,5R)-3,4-dioctoxy-5-undec-10-en-2-yloxolan-2-yl]methanol

[(2R,3R,4R,5R)-3,4-dioctoxy-5-undec-10-en-2-yloxolan-2-yl]methanol (PubChem CID 140687762) has the molecular formula C32H62O4 and a molecular weight of 510.84 g/mol. Its IUPAC name is [(2R,3R,4R,5R)-3,4-dioctoxy-5-undec-10-en-2-yloxolan-2-yl]methanol.

Molecular Properties

Compound Name[(2R,3R,4R,5R)-3,4-dioctoxy-5-undec-10-en-2-yloxolan-2-yl]methanol
PubChem CID140687762
Molecular FormulaC32H62O4
Molecular Weight510.84 g/mol
Exact Mass510.46
IUPAC Name[(2R,3R,4R,5R)-3,4-dioctoxy-5-undec-10-en-2-yloxolan-2-yl]methanol
SMILESC=CCCCCCCCC(C)[C@H]1O[C@H](CO)[C@@H](OCCCCCCCC)[C@@H]1OCCCCCCCC
InChIInChI=1S/C32H62O4/c1-5-8-11-14-17-18-21-24-28(4)30-32(35-26-23-20-16-13-10-7-3)31(29(27-33)36-30)34-25-22-19-15-12-9-6-2/h5,28-33H,1,6-27H2,2-4H3/t28?,29-,30-,31-,32-/m1/s1
InChIKeySITOLPFMNIJLBY-REHHZZIGSA-N
XLogP8.79
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds26
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.84
LogP ≤ 58.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [(2R,3R,4R,5R)-3,4-dioctoxy-5-undec-10-en-2-yloxolan-2-yl]methanol with MolForge

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Related Compounds

[(2R,3R,4R,5R)-3,4-bis(phenylmethoxy)-5-undec-10-en-2-yloxolan-2-yl]methanol
CID 140687752
[(2R,3R,4R,5S)-3,4-diphenoxy-5-undec-10-en-2-yloxolan-2-yl]methanol
CID 140687759
[(2R,3R,4R,5R)-3,4-bis(4-methoxyphenoxy)-5-undec-10-en-2-yloxolan-2-yl]methanol
CID 150771199
(2R,3S,4S,5S)-2-(hydroxymethyl)-5-undecan-2-yloxolane-3,4-diol
CID 89443137
(3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tripentoxyoxan-2-ol
CID 173460105
[(2R,3S,4R)-3,5-dimethoxy-4-octadecoxyoxolan-2-yl]methanol
CID 22828524
8-methylnonadec-1-ene
CID 90877384
dioxetane;undec-1-ene
CID 159623515
(3R,4S,5R,6R)-6-(hydroxymethyl)-4-undecoxyoxane-2,3,5-triol
CID 13365350
propane-1,3-diol;3-tetradecan-2-yloxypropan-1-ol;tetradec-1-ene
CID 161072377
(2R,3R,5R)-5-[(1S)-1-hydroxydec-9-enyl]-2-pentyloxolan-3-ol
CID 53350173
(2S,3S,5R)-5-(1-hydroxydec-9-enyl)-2-pentyloxolan-3-ol
CID 11781945

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4R,5R)-3,4-dioctoxy-5-undec-10-en-2-yloxolan-2-yl]methanol?
The IUPAC name of [(2R,3R,4R,5R)-3,4-dioctoxy-5-undec-10-en-2-yloxolan-2-yl]methanol (CID 140687762) is [(2R,3R,4R,5R)-3,4-dioctoxy-5-undec-10-en-2-yloxolan-2-yl]methanol.
What is the SMILES notation for [(2R,3R,4R,5R)-3,4-dioctoxy-5-undec-10-en-2-yloxolan-2-yl]methanol?
The canonical SMILES for [(2R,3R,4R,5R)-3,4-dioctoxy-5-undec-10-en-2-yloxolan-2-yl]methanol is C=CCCCCCCCC(C)[C@H]1O[C@H](CO)[C@@H](OCCCCCCCC)[C@@H]1OCCCCCCCC.
What is the InChIKey of [(2R,3R,4R,5R)-3,4-dioctoxy-5-undec-10-en-2-yloxolan-2-yl]methanol?
The InChIKey is SITOLPFMNIJLBY-REHHZZIGSA-N. The full InChI is InChI=1S/C32H62O4/c1-5-8-11-14-17-18-21-24-28(4)30-32(35-26-23-20-16-13-10-7-3)31(29(27-33)36-30)34-25-22-19-15-12-9-6-2/h5,28-33H,1,6-27H2,2-4H3/t28?,29-,30-,31-,32-/m1/s1.
What are the key properties of [(2R,3R,4R,5R)-3,4-dioctoxy-5-undec-10-en-2-yloxolan-2-yl]methanol?
[(2R,3R,4R,5R)-3,4-dioctoxy-5-undec-10-en-2-yloxolan-2-yl]methanol has a molecular weight of 510.84 g/mol, XLogP of 8.79, 26 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,4R,5R)-3,4-dioctoxy-5-undec-10-en-2-yloxolan-2-yl]methanol is sourced from PubChem (CID 140687762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).