4-(methoxymethoxy)hex-5-en-3-ol

C8H16O3 — CID 12916897

IUPAC4-(methoxymethoxy)hex-5-en-3-ol
SMILESC=CC(OCOC)C(O)CC
InChIInChI=1S/C8H16O3/c1-4-7(9)8(5-2)11-6-10-3/h5,7-9H,2,4,6H2,1,3H3
InChIKeyPMGWHSWRMVGSMF-UHFFFAOYSA-N
MW160.21 g/mol
LogP0.93
Rot. Bonds6

About 4-(methoxymethoxy)hex-5-en-3-ol

4-(methoxymethoxy)hex-5-en-3-ol (PubChem CID 12916897) has the molecular formula C8H16O3 and a molecular weight of 160.21 g/mol. Its IUPAC name is 4-(methoxymethoxy)hex-5-en-3-ol.

Molecular Properties

Compound Name4-(methoxymethoxy)hex-5-en-3-ol
PubChem CID12916897
Molecular FormulaC8H16O3
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Name4-(methoxymethoxy)hex-5-en-3-ol
SMILESC=CC(OCOC)C(O)CC
InChIInChI=1S/C8H16O3/c1-4-7(9)8(5-2)11-6-10-3/h5,7-9H,2,4,6H2,1,3H3
InChIKeyPMGWHSWRMVGSMF-UHFFFAOYSA-N
XLogP0.93
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.21
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

(4R,5S)-(2,2-Dimethyl-5-vinyl-1,3-dioxolan-4-YL)methan-1-OL
CID 11051924
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
[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
CID 11240632
[(2R,6R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]methanol
CID 11788550
(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
1-(2,5-dimethoxy-2H-furan-5-yl)propan-1-ol
CID 332603
(2E,4R,5S,6E)-4-(methoxymethoxy)undeca-2,6-dien-5-ol
CID 10466332
(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

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethoxy)hex-5-en-3-ol?
The IUPAC name of 4-(methoxymethoxy)hex-5-en-3-ol (CID 12916897) is 4-(methoxymethoxy)hex-5-en-3-ol.
What is the SMILES notation for 4-(methoxymethoxy)hex-5-en-3-ol?
The canonical SMILES for 4-(methoxymethoxy)hex-5-en-3-ol is C=CC(OCOC)C(O)CC.
What is the InChIKey of 4-(methoxymethoxy)hex-5-en-3-ol?
The InChIKey is PMGWHSWRMVGSMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3/c1-4-7(9)8(5-2)11-6-10-3/h5,7-9H,2,4,6H2,1,3H3.
What are the key properties of 4-(methoxymethoxy)hex-5-en-3-ol?
4-(methoxymethoxy)hex-5-en-3-ol has a molecular weight of 160.21 g/mol, XLogP of 0.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethoxy)hex-5-en-3-ol is sourced from PubChem (CID 12916897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).