(2S,4R)-4-(2-methoxyethoxymethoxy)hept-6-ene-1,2-diol

C11H22O5 — CID 11299274

IUPAC(2S,4R)-4-(2-methoxyethoxymethoxy)hept-6-ene-1,2-diol
SMILESC=CC[C@H](C[C@H](O)CO)OCOCCOC
InChIInChI=1S/C11H22O5/c1-3-4-11(7-10(13)8-12)16-9-15-6-5-14-2/h3,10-13H,1,4-9H2,2H3/t10-,11+/m0/s1
InChIKeyQRUIAZZOQJITSZ-WDEREUQCSA-N
MW234.29 g/mol
LogP0.31
Rot. Bonds11

About (2S,4R)-4-(2-methoxyethoxymethoxy)hept-6-ene-1,2-diol

(2S,4R)-4-(2-methoxyethoxymethoxy)hept-6-ene-1,2-diol (PubChem CID 11299274) has the molecular formula C11H22O5 and a molecular weight of 234.29 g/mol. Its IUPAC name is (2S,4R)-4-(2-methoxyethoxymethoxy)hept-6-ene-1,2-diol.

Molecular Properties

Compound Name(2S,4R)-4-(2-methoxyethoxymethoxy)hept-6-ene-1,2-diol
PubChem CID11299274
Molecular FormulaC11H22O5
Molecular Weight234.29 g/mol
Exact Mass234.15
IUPAC Name(2S,4R)-4-(2-methoxyethoxymethoxy)hept-6-ene-1,2-diol
SMILESC=CC[C@H](C[C@H](O)CO)OCOCCOC
InChIInChI=1S/C11H22O5/c1-3-4-11(7-10(13)8-12)16-9-15-6-5-14-2/h3,10-13H,1,4-9H2,2H3/t10-,11+/m0/s1
InChIKeyQRUIAZZOQJITSZ-WDEREUQCSA-N
XLogP0.31
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2R,3R,5R,6S)-2-but-3-enoxy-6-methyloxane-3,5-diol
CID 44143720
(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
1-Ethoxybutyl-3-enyl-glucopyranoside
CID 195886
(4R,5R,6R)-2,2,4-trimethyl-6-prop-2-enyl-1,3-dioxan-5-ol
CID 71573609
(4R,5S,6R)-2,2,4-trimethyl-6-prop-2-enyl-1,3-dioxan-5-ol
CID 129321816
(3aR,5R,6S,6aR)-5-allyl-2,2-dimethyltetrahydrofuro[2,3-d][1,3]dioxol-6-ol
CID 89329032
(2R)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pent-4-en-2-ol
CID 10888665
(1R)-1-[(4R,5S)-5-[(1S)-1-hydroxyprop-2-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethane-1,2-diol
CID 11009419
(2S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pent-4-en-2-ol
CID 11019582
(4S,5S)-5-(methoxymethoxy)undec-1-en-4-ol
CID 11322182
(4S,5S)-5-(2-methoxyethoxymethoxy)undec-1-en-4-ol
CID 11346374
(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 (2S,4R)-4-(2-methoxyethoxymethoxy)hept-6-ene-1,2-diol?
The IUPAC name of (2S,4R)-4-(2-methoxyethoxymethoxy)hept-6-ene-1,2-diol (CID 11299274) is (2S,4R)-4-(2-methoxyethoxymethoxy)hept-6-ene-1,2-diol.
What is the SMILES notation for (2S,4R)-4-(2-methoxyethoxymethoxy)hept-6-ene-1,2-diol?
The canonical SMILES for (2S,4R)-4-(2-methoxyethoxymethoxy)hept-6-ene-1,2-diol is C=CC[C@H](C[C@H](O)CO)OCOCCOC.
What is the InChIKey of (2S,4R)-4-(2-methoxyethoxymethoxy)hept-6-ene-1,2-diol?
The InChIKey is QRUIAZZOQJITSZ-WDEREUQCSA-N. The full InChI is InChI=1S/C11H22O5/c1-3-4-11(7-10(13)8-12)16-9-15-6-5-14-2/h3,10-13H,1,4-9H2,2H3/t10-,11+/m0/s1.
What are the key properties of (2S,4R)-4-(2-methoxyethoxymethoxy)hept-6-ene-1,2-diol?
(2S,4R)-4-(2-methoxyethoxymethoxy)hept-6-ene-1,2-diol has a molecular weight of 234.29 g/mol, XLogP of 0.31, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-(2-methoxyethoxymethoxy)hept-6-ene-1,2-diol is sourced from PubChem (CID 11299274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).