(2R,3S,4R)-2,4-bis(methoxymethoxy)hex-5-ene-1,3-diol

C10H20O6 — CID 162517827

IUPAC(2R,3S,4R)-2,4-bis(methoxymethoxy)hex-5-ene-1,3-diol
SMILESC=C[C@@H](OCOC)[C@H](O)[C@@H](CO)OCOC
InChIInChI=1S/C10H20O6/c1-4-8(15-6-13-2)10(12)9(5-11)16-7-14-3/h4,8-12H,1,5-7H2,2-3H3/t8-,9-,10+/m1/s1
InChIKeyPKNVCXBAZPUINW-BBBLOLIVSA-N
MW236.26 g/mol
LogP-0.50
Rot. Bonds10

About (2R,3S,4R)-2,4-bis(methoxymethoxy)hex-5-ene-1,3-diol

(2R,3S,4R)-2,4-bis(methoxymethoxy)hex-5-ene-1,3-diol (PubChem CID 162517827) has the molecular formula C10H20O6 and a molecular weight of 236.26 g/mol. Its IUPAC name is (2R,3S,4R)-2,4-bis(methoxymethoxy)hex-5-ene-1,3-diol.

Molecular Properties

Compound Name(2R,3S,4R)-2,4-bis(methoxymethoxy)hex-5-ene-1,3-diol
PubChem CID162517827
Molecular FormulaC10H20O6
Molecular Weight236.26 g/mol
Exact Mass236.13
IUPAC Name(2R,3S,4R)-2,4-bis(methoxymethoxy)hex-5-ene-1,3-diol
SMILESC=C[C@@H](OCOC)[C@H](O)[C@@H](CO)OCOC
InChIInChI=1S/C10H20O6/c1-4-8(15-6-13-2)10(12)9(5-11)16-7-14-3/h4,8-12H,1,5-7H2,2-3H3/t8-,9-,10+/m1/s1
InChIKeyPKNVCXBAZPUINW-BBBLOLIVSA-N
XLogP-0.50
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.26
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(1S)-1-[(4S,5S)-5-[(1S)-1-hydroxyprop-2-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-en-1-ol
CID 10899994
4-Penten-2-ol, 3-[(2-methoxyethoxy)methoxy]-, (2S,3S)-
CID 11424055
(R)-1-((4R,5S)-2,2-Dimethyl-5-vinyl-1,3-dioxolan-4-yl)ethane-1,2-diol
CID 11063164
(2R,4S)-4-(methoxymethoxy)hex-5-en-2-ol
CID 56834401
1-[(4R,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]ethane-1,2-diol
CID 155185118
5,6-Dideoxy-l-arabino-hex-5-enofuranose
CID 11171050
(1R)-1-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]ethane-1,2-diol
CID 11263931
(1S)-1-[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-en-1-ol
CID 11745296
(1R)-1-[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-en-1-ol
CID 11805416
4-(Methoxymethoxy)hex-5-en-3-ol
CID 12916897
4-(Methoxymethoxy)-2-methylhex-5-en-3-ol
CID 12916901
(1R,1'R)-1,1'-((4R,5R)-2,2-Dimethyl-1,3-dioxolane-4,5-diyl)bis(prop-2-en-1-ol)
CID 12966926

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R)-2,4-bis(methoxymethoxy)hex-5-ene-1,3-diol?
The IUPAC name of (2R,3S,4R)-2,4-bis(methoxymethoxy)hex-5-ene-1,3-diol (CID 162517827) is (2R,3S,4R)-2,4-bis(methoxymethoxy)hex-5-ene-1,3-diol.
What is the SMILES notation for (2R,3S,4R)-2,4-bis(methoxymethoxy)hex-5-ene-1,3-diol?
The canonical SMILES for (2R,3S,4R)-2,4-bis(methoxymethoxy)hex-5-ene-1,3-diol is C=C[C@@H](OCOC)[C@H](O)[C@@H](CO)OCOC.
What is the InChIKey of (2R,3S,4R)-2,4-bis(methoxymethoxy)hex-5-ene-1,3-diol?
The InChIKey is PKNVCXBAZPUINW-BBBLOLIVSA-N. The full InChI is InChI=1S/C10H20O6/c1-4-8(15-6-13-2)10(12)9(5-11)16-7-14-3/h4,8-12H,1,5-7H2,2-3H3/t8-,9-,10+/m1/s1.
What are the key properties of (2R,3S,4R)-2,4-bis(methoxymethoxy)hex-5-ene-1,3-diol?
(2R,3S,4R)-2,4-bis(methoxymethoxy)hex-5-ene-1,3-diol has a molecular weight of 236.26 g/mol, XLogP of -0.50, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R)-2,4-bis(methoxymethoxy)hex-5-ene-1,3-diol is sourced from PubChem (CID 162517827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).