(E)-3-(methoxymethoxymethyl)hex-4-en-3-ol

C9H18O3 — CID 10035090

IUPAC(E)-3-(methoxymethoxymethyl)hex-4-en-3-ol
SMILESC/C=C/C(O)(CC)COCOC
InChIInChI=1S/C9H18O3/c1-4-6-9(10,5-2)7-12-8-11-3/h4,6,10H,5,7-8H2,1-3H3/b6-4+
InChIKeyIXKBQMXZUSLTQA-GQCTYLIASA-N
MW174.24 g/mol
LogP1.32
Rot. Bonds6

About (E)-3-(methoxymethoxymethyl)hex-4-en-3-ol

(E)-3-(methoxymethoxymethyl)hex-4-en-3-ol (PubChem CID 10035090) has the molecular formula C9H18O3 and a molecular weight of 174.24 g/mol. Its IUPAC name is (E)-3-(methoxymethoxymethyl)hex-4-en-3-ol.

Molecular Properties

Compound Name(E)-3-(methoxymethoxymethyl)hex-4-en-3-ol
PubChem CID10035090
Molecular FormulaC9H18O3
Molecular Weight174.24 g/mol
Exact Mass174.13
IUPAC Name(E)-3-(methoxymethoxymethyl)hex-4-en-3-ol
SMILESC/C=C/C(O)(CC)COCOC
InChIInChI=1S/C9H18O3/c1-4-6-9(10,5-2)7-12-8-11-3/h4,6,10H,5,7-8H2,1-3H3/b6-4+
InChIKeyIXKBQMXZUSLTQA-GQCTYLIASA-N
XLogP1.32
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

2-(2,5-dimethoxy-2H-furan-5-yl)propan-2-ol
CID 139644805
(5E)-3-(methoxymethoxy)hepta-1,5-dien-4-ol
CID 13025036
(Z,3S,4S)-3-(methoxymethoxy)-2,6-dimethyloct-5-en-4-ol
CID 101696244
(3S,4S)-3-(methoxymethoxy)-6-methylhepta-1,5-dien-4-ol
CID 129322527
[(2R,6R)-2-methoxy-6-methyl-2,5-dihydropyran-6-yl]methanol
CID 100917637
(4S,5Z,7R)-7-(2-methoxyethoxymethoxymethyl)-5-methylnona-1,5-dien-4-ol
CID 118123382
(E)-1-[(E)-3-(methoxymethoxymethyl)hex-4-en-3-yl]oxyprop-1-en-1-ol
CID 9974086
(Z)-3-(methoxymethoxymethyl)hex-4-en-3-ol
CID 10035089
(E)-3-(methoxymethoxy)-2-methylhex-4-en-2-ol
CID 10058018
3-(Methoxymethoxy)-4,5,6-trimethylhepta-1,2,5-trien-4-ol
CID 10059036
3-(Methoxymethoxymethyl)-5-methylhex-4-en-3-ol
CID 10103953
3-(Methoxymethoxymethyl)pent-1-en-3-ol
CID 10329562

Frequently Asked Questions

What is the IUPAC name of (E)-3-(methoxymethoxymethyl)hex-4-en-3-ol?
The IUPAC name of (E)-3-(methoxymethoxymethyl)hex-4-en-3-ol (CID 10035090) is (E)-3-(methoxymethoxymethyl)hex-4-en-3-ol.
What is the SMILES notation for (E)-3-(methoxymethoxymethyl)hex-4-en-3-ol?
The canonical SMILES for (E)-3-(methoxymethoxymethyl)hex-4-en-3-ol is C/C=C/C(O)(CC)COCOC.
What is the InChIKey of (E)-3-(methoxymethoxymethyl)hex-4-en-3-ol?
The InChIKey is IXKBQMXZUSLTQA-GQCTYLIASA-N. The full InChI is InChI=1S/C9H18O3/c1-4-6-9(10,5-2)7-12-8-11-3/h4,6,10H,5,7-8H2,1-3H3/b6-4+.
What are the key properties of (E)-3-(methoxymethoxymethyl)hex-4-en-3-ol?
(E)-3-(methoxymethoxymethyl)hex-4-en-3-ol has a molecular weight of 174.24 g/mol, XLogP of 1.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(methoxymethoxymethyl)hex-4-en-3-ol is sourced from PubChem (CID 10035090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).