(E,4R)-4-(methoxymethoxy)hex-2-en-1-ol

C8H16O3 — CID 102077684

IUPAC(E,4R)-4-(methoxymethoxy)hex-2-en-1-ol
SMILESCC[C@H](/C=C/CO)OCOC
InChIInChI=1S/C8H16O3/c1-3-8(5-4-6-9)11-7-10-2/h4-5,8-9H,3,6-7H2,1-2H3/b5-4+/t8-/m1/s1
InChIKeyIZQNUGPOQUBMKU-WTSVBCDHSA-N
MW160.21 g/mol
LogP0.93
Rot. Bonds6

About (E,4R)-4-(methoxymethoxy)hex-2-en-1-ol

(E,4R)-4-(methoxymethoxy)hex-2-en-1-ol (PubChem CID 102077684) has the molecular formula C8H16O3 and a molecular weight of 160.21 g/mol. Its IUPAC name is (E,4R)-4-(methoxymethoxy)hex-2-en-1-ol.

Molecular Properties

Compound Name(E,4R)-4-(methoxymethoxy)hex-2-en-1-ol
PubChem CID102077684
Molecular FormulaC8H16O3
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Name(E,4R)-4-(methoxymethoxy)hex-2-en-1-ol
SMILESCC[C@H](/C=C/CO)OCOC
InChIInChI=1S/C8H16O3/c1-3-8(5-4-6-9)11-7-10-2/h4-5,8-9H,3,6-7H2,1-2H3/b5-4+/t8-/m1/s1
InChIKeyIZQNUGPOQUBMKU-WTSVBCDHSA-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

[(E)-hept-4-en-3-yl] methyl carbonate
CID 11062874
2-Hexen-1-ol, 6-(1-ethoxyethoxy)-, (2E)-
CID 6437396
(2E,4R,5S,6E)-4-(methoxymethoxy)undeca-2,6-dien-5-ol
CID 10466332
(5E)-3,3-diethoxynona-1,5-dien-4-ol
CID 10704552
(2e)-1,1-Dimethoxyhex-2-en-4-ol
CID 11019160
(5E)-3-(methoxymethoxy)hepta-1,5-dien-4-ol
CID 13025036
(E,2S)-4-(methoxymethoxymethyl)hex-3-en-2-ol
CID 60153429
1,1-Diathoxy-4-hydroxy-2-penten
CID 85393239
(2E,4R)-4-(methoxymethoxy)octa-2,7-dien-1-ol
CID 102297137
(3S,4S)-3-(methoxymethoxy)-6-methylhepta-1,5-dien-4-ol
CID 129322527
(2e)-1,1-Dimethoxyhept-2-en-4-ol
CID 129755518
(Z)-1,4-bis(methoxymethoxy)pent-2-ene
CID 134887207

Frequently Asked Questions

What is the IUPAC name of (E,4R)-4-(methoxymethoxy)hex-2-en-1-ol?
The IUPAC name of (E,4R)-4-(methoxymethoxy)hex-2-en-1-ol (CID 102077684) is (E,4R)-4-(methoxymethoxy)hex-2-en-1-ol.
What is the SMILES notation for (E,4R)-4-(methoxymethoxy)hex-2-en-1-ol?
The canonical SMILES for (E,4R)-4-(methoxymethoxy)hex-2-en-1-ol is CC[C@H](/C=C/CO)OCOC.
What is the InChIKey of (E,4R)-4-(methoxymethoxy)hex-2-en-1-ol?
The InChIKey is IZQNUGPOQUBMKU-WTSVBCDHSA-N. The full InChI is InChI=1S/C8H16O3/c1-3-8(5-4-6-9)11-7-10-2/h4-5,8-9H,3,6-7H2,1-2H3/b5-4+/t8-/m1/s1.
What are the key properties of (E,4R)-4-(methoxymethoxy)hex-2-en-1-ol?
(E,4R)-4-(methoxymethoxy)hex-2-en-1-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 (E,4R)-4-(methoxymethoxy)hex-2-en-1-ol is sourced from PubChem (CID 102077684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).