(E,7R)-7-(methoxymethoxy)oct-2-en-1-ol

C10H20O3 — CID 155294637

IUPAC(E,7R)-7-(methoxymethoxy)oct-2-en-1-ol
SMILESCOCO[C@H](C)CCC/C=C/CO
InChIInChI=1S/C10H20O3/c1-10(13-9-12-2)7-5-3-4-6-8-11/h4,6,10-11H,3,5,7-9H2,1-2H3/b6-4+/t10-/m1/s1
InChIKeyGGQZGQLZRDHXEZ-DFVUYQKZSA-N
MW188.27 g/mol
LogP1.71
Rot. Bonds8

About (E,7R)-7-(methoxymethoxy)oct-2-en-1-ol

(E,7R)-7-(methoxymethoxy)oct-2-en-1-ol (PubChem CID 155294637) has the molecular formula C10H20O3 and a molecular weight of 188.27 g/mol. Its IUPAC name is (E,7R)-7-(methoxymethoxy)oct-2-en-1-ol.

Molecular Properties

Compound Name(E,7R)-7-(methoxymethoxy)oct-2-en-1-ol
PubChem CID155294637
Molecular FormulaC10H20O3
Molecular Weight188.27 g/mol
Exact Mass188.14
IUPAC Name(E,7R)-7-(methoxymethoxy)oct-2-en-1-ol
SMILESCOCO[C@H](C)CCC/C=C/CO
InChIInChI=1S/C10H20O3/c1-10(13-9-12-2)7-5-3-4-6-8-11/h4,6,10-11H,3,5,7-9H2,1-2H3/b6-4+/t10-/m1/s1
InChIKeyGGQZGQLZRDHXEZ-DFVUYQKZSA-N
XLogP1.71
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 51.71
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

(e)-4r-Hydroxynonenal-dimethylacetal
CID 14159265
(e)-4-Hydroxy-2-nonenal-diethylacetal
CID 14298925
(e)-2-Octen-1,4-diol
CID 22245672
4-Hydroxynonenal-diethylacetal
CID 57319218
2-Hexen-1-ol, 6-(1-ethoxyethoxy)-, (2E)-
CID 6437396
(E)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]pent-2-en-1-ol
CID 22959671
(E,2R)-1-(methoxymethoxy)dec-3-en-2-ol
CID 24746021
(4R,5E,8R,9R,10R)-8,9,10-tris(methoxymethoxy)undeca-1,5-dien-4-ol
CID 53362386
(E,4S)-4-(methoxymethoxy)tridec-2-en-1-ol
CID 56650372
4-Hydroxy-2-nonenal-dimethyl acetal
CID 57347575
(E,2S,8S)-non-3-ene-2,8-diol
CID 101449436
(E,4R)-4-(methoxymethoxy)hex-2-en-1-ol
CID 102077684

Frequently Asked Questions

What is the IUPAC name of (E,7R)-7-(methoxymethoxy)oct-2-en-1-ol?
The IUPAC name of (E,7R)-7-(methoxymethoxy)oct-2-en-1-ol (CID 155294637) is (E,7R)-7-(methoxymethoxy)oct-2-en-1-ol.
What is the SMILES notation for (E,7R)-7-(methoxymethoxy)oct-2-en-1-ol?
The canonical SMILES for (E,7R)-7-(methoxymethoxy)oct-2-en-1-ol is COCO[C@H](C)CCC/C=C/CO.
What is the InChIKey of (E,7R)-7-(methoxymethoxy)oct-2-en-1-ol?
The InChIKey is GGQZGQLZRDHXEZ-DFVUYQKZSA-N. The full InChI is InChI=1S/C10H20O3/c1-10(13-9-12-2)7-5-3-4-6-8-11/h4,6,10-11H,3,5,7-9H2,1-2H3/b6-4+/t10-/m1/s1.
What are the key properties of (E,7R)-7-(methoxymethoxy)oct-2-en-1-ol?
(E,7R)-7-(methoxymethoxy)oct-2-en-1-ol has a molecular weight of 188.27 g/mol, XLogP of 1.71, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E,7R)-7-(methoxymethoxy)oct-2-en-1-ol is sourced from PubChem (CID 155294637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).