(E,6R)-6-[(2R,6S)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]oxan-2-yl]hex-2-ene-1,6-diol

C16H28O5 — CID 11558486

IUPAC(E,6R)-6-[(2R,6S)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]oxan-2-yl]hex-2-ene-1,6-diol
SMILESCC1(C)OC[C@H]([C@@H]2CCC[C@H]([C@H](O)CC/C=C/CO)O2)O1
InChIInChI=1S/C16H28O5/c1-16(2)19-11-15(21-16)14-9-6-8-13(20-14)12(18)7-4-3-5-10-17/h3,5,12-15,17-18H,4,6-11H2,1-2H3/b5-3+/t12-,13-,14+,15-/m1/s1
InChIKeyWVIAKYCKGWSMBG-LUGGRYCLSA-N
MW300.39 g/mol
LogP1.77
Rot. Bonds6

About (E,6R)-6-[(2R,6S)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]oxan-2-yl]hex-2-ene-1,6-diol

(E,6R)-6-[(2R,6S)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]oxan-2-yl]hex-2-ene-1,6-diol (PubChem CID 11558486) has the molecular formula C16H28O5 and a molecular weight of 300.39 g/mol. Its IUPAC name is (E,6R)-6-[(2R,6S)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]oxan-2-yl]hex-2-ene-1,6-diol.

Molecular Properties

Compound Name(E,6R)-6-[(2R,6S)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]oxan-2-yl]hex-2-ene-1,6-diol
PubChem CID11558486
Molecular FormulaC16H28O5
Molecular Weight300.39 g/mol
Exact Mass300.19
IUPAC Name(E,6R)-6-[(2R,6S)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]oxan-2-yl]hex-2-ene-1,6-diol
SMILESCC1(C)OC[C@H]([C@@H]2CCC[C@H]([C@H](O)CC/C=C/CO)O2)O1
InChIInChI=1S/C16H28O5/c1-16(2)19-11-15(21-16)14-9-6-8-13(20-14)12(18)7-4-3-5-10-17/h3,5,12-15,17-18H,4,6-11H2,1-2H3/b5-3+/t12-,13-,14+,15-/m1/s1
InChIKeyWVIAKYCKGWSMBG-LUGGRYCLSA-N
XLogP1.77
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.39
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (E,6R)-6-[(2R,6S)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]oxan-2-yl]hex-2-ene-1,6-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R,3S,6S)-6-decoxy-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-ol
CID 53305121
2-(hydroxymethyl)-6-undec-10-enoxy-3,6-dihydro-2H-pyran-3-ol
CID 388312
(E)-5-[(4S,5S)-5-[(E)-5-hydroxypent-3-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]pent-2-en-1-ol
CID 5467361
[2-[(E)-heptadec-8-enyl]-1,3-dioxolan-4-yl]methanol
CID 14542125
(2R,3aS,5R,6R,7aS)-5-[(E,2S)-2-hydroxypent-3-enyl]-2-methoxy-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyran-6-ol
CID 14558246
(Z,1R,5R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]heptadec-3-ene-1,5-diol
CID 101750132
trans-2-[(z)-8-Pentadecenyl]-4-hydroxymethyl-1,3-dioxolane
CID 129776173
cis-2-[(z)-8-Pentadecenyl]-4-hydroxymethyl-1,3-dioxolane
CID 129776221
(Z,4R)-5-[(2R,3S)-3-hydroxyoxan-2-yl]pent-2-ene-1,4-diol
CID 135029005
(Z,4S)-5-[(2R,3S)-3-hydroxyoxan-2-yl]pent-2-ene-1,4-diol
CID 135029161
(1R)-1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]but-2-en-1-ol
CID 135038087
(3aR,4R,7S,7aS)-2,2,5-trimethyl-3a,4,7,7a-tetrahydro-1,3-benzodioxole-4,7-diol
CID 139125704

Frequently Asked Questions

What is the IUPAC name of (E,6R)-6-[(2R,6S)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]oxan-2-yl]hex-2-ene-1,6-diol?
The IUPAC name of (E,6R)-6-[(2R,6S)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]oxan-2-yl]hex-2-ene-1,6-diol (CID 11558486) is (E,6R)-6-[(2R,6S)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]oxan-2-yl]hex-2-ene-1,6-diol.
What is the SMILES notation for (E,6R)-6-[(2R,6S)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]oxan-2-yl]hex-2-ene-1,6-diol?
The canonical SMILES for (E,6R)-6-[(2R,6S)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]oxan-2-yl]hex-2-ene-1,6-diol is CC1(C)OC[C@H]([C@@H]2CCC[C@H]([C@H](O)CC/C=C/CO)O2)O1.
What is the InChIKey of (E,6R)-6-[(2R,6S)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]oxan-2-yl]hex-2-ene-1,6-diol?
The InChIKey is WVIAKYCKGWSMBG-LUGGRYCLSA-N. The full InChI is InChI=1S/C16H28O5/c1-16(2)19-11-15(21-16)14-9-6-8-13(20-14)12(18)7-4-3-5-10-17/h3,5,12-15,17-18H,4,6-11H2,1-2H3/b5-3+/t12-,13-,14+,15-/m1/s1.
What are the key properties of (E,6R)-6-[(2R,6S)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]oxan-2-yl]hex-2-ene-1,6-diol?
(E,6R)-6-[(2R,6S)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]oxan-2-yl]hex-2-ene-1,6-diol has a molecular weight of 300.39 g/mol, XLogP of 1.77, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E,6R)-6-[(2R,6S)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]oxan-2-yl]hex-2-ene-1,6-diol is sourced from PubChem (CID 11558486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).