(2R,4S)-4-(2-methoxyethoxymethoxy)hex-5-en-2-ol

C10H20O4 — CID 24823369

IUPAC(2R,4S)-4-(2-methoxyethoxymethoxy)hex-5-en-2-ol
SMILESC=C[C@H](C[C@@H](C)O)OCOCCOC
InChIInChI=1S/C10H20O4/c1-4-10(7-9(2)11)14-8-13-6-5-12-3/h4,9-11H,1,5-8H2,2-3H3/t9-,10-/m1/s1
InChIKeyGPWXSZUFUYISKZ-NXEZZACHSA-N
MW204.27 g/mol
LogP0.95
Rot. Bonds9

About (2R,4S)-4-(2-methoxyethoxymethoxy)hex-5-en-2-ol

(2R,4S)-4-(2-methoxyethoxymethoxy)hex-5-en-2-ol (PubChem CID 24823369) has the molecular formula C10H20O4 and a molecular weight of 204.27 g/mol. Its IUPAC name is (2R,4S)-4-(2-methoxyethoxymethoxy)hex-5-en-2-ol.

Molecular Properties

Compound Name(2R,4S)-4-(2-methoxyethoxymethoxy)hex-5-en-2-ol
PubChem CID24823369
Molecular FormulaC10H20O4
Molecular Weight204.27 g/mol
Exact Mass204.14
IUPAC Name(2R,4S)-4-(2-methoxyethoxymethoxy)hex-5-en-2-ol
SMILESC=C[C@H](C[C@@H](C)O)OCOCCOC
InChIInChI=1S/C10H20O4/c1-4-10(7-9(2)11)14-8-13-6-5-12-3/h4,9-11H,1,5-8H2,2-3H3/t9-,10-/m1/s1
InChIKeyGPWXSZUFUYISKZ-NXEZZACHSA-N
XLogP0.95
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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
(3R)-3-(methoxymethoxy)pent-4-en-1-ol
CID 46192663
(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
(1R)-1-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]ethane-1,2-diol
CID 11263931
4-(Methoxymethoxy)hex-5-en-3-ol
CID 12916897
(2R,5R)-5-(methoxymethoxy)hept-6-en-2-ol
CID 44604186
(4S,6R)-6-(2-methoxyethoxymethoxy)octa-1,7-dien-4-ol
CID 71567153
(4S,5R,6R)-5,6-bis(methoxymethoxy)hept-1-en-4-ol
CID 102144558
(4R,5R,6R)-5,6-bis(methoxymethoxy)hept-1-en-4-ol
CID 102144559
(2S,3R)-3-(2-methoxyethoxymethoxy)pent-4-en-2-ol
CID 124647096

Frequently Asked Questions

What is the IUPAC name of (2R,4S)-4-(2-methoxyethoxymethoxy)hex-5-en-2-ol?
The IUPAC name of (2R,4S)-4-(2-methoxyethoxymethoxy)hex-5-en-2-ol (CID 24823369) is (2R,4S)-4-(2-methoxyethoxymethoxy)hex-5-en-2-ol.
What is the SMILES notation for (2R,4S)-4-(2-methoxyethoxymethoxy)hex-5-en-2-ol?
The canonical SMILES for (2R,4S)-4-(2-methoxyethoxymethoxy)hex-5-en-2-ol is C=C[C@H](C[C@@H](C)O)OCOCCOC.
What is the InChIKey of (2R,4S)-4-(2-methoxyethoxymethoxy)hex-5-en-2-ol?
The InChIKey is GPWXSZUFUYISKZ-NXEZZACHSA-N. The full InChI is InChI=1S/C10H20O4/c1-4-10(7-9(2)11)14-8-13-6-5-12-3/h4,9-11H,1,5-8H2,2-3H3/t9-,10-/m1/s1.
What are the key properties of (2R,4S)-4-(2-methoxyethoxymethoxy)hex-5-en-2-ol?
(2R,4S)-4-(2-methoxyethoxymethoxy)hex-5-en-2-ol has a molecular weight of 204.27 g/mol, XLogP of 0.95, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-4-(2-methoxyethoxymethoxy)hex-5-en-2-ol is sourced from PubChem (CID 24823369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).