(3R)-3-(methoxymethoxy)hex-5-enal

C8H14O3 — CID 44604002

IUPAC(3R)-3-(methoxymethoxy)hex-5-enal
SMILESC=CC[C@H](CC=O)OCOC
InChIInChI=1S/C8H14O3/c1-3-4-8(5-6-9)11-7-10-2/h3,6,8H,1,4-5,7H2,2H3/t8-/m1/s1
InChIKeyLUSXUJMRBDENLE-MRVPVSSYSA-N
MW158.20 g/mol
LogP1.14
Rot. Bonds7

About (3R)-3-(methoxymethoxy)hex-5-enal

(3R)-3-(methoxymethoxy)hex-5-enal (PubChem CID 44604002) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is (3R)-3-(methoxymethoxy)hex-5-enal.

Molecular Properties

Compound Name(3R)-3-(methoxymethoxy)hex-5-enal
PubChem CID44604002
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name(3R)-3-(methoxymethoxy)hex-5-enal
SMILESC=CC[C@H](CC=O)OCOC
InChIInChI=1S/C8H14O3/c1-3-4-8(5-6-9)11-7-10-2/h3,6,8H,1,4-5,7H2,2H3/t8-/m1/s1
InChIKeyLUSXUJMRBDENLE-MRVPVSSYSA-N
XLogP1.14
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', '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

(2S)-Methoxymethoxy-hex-5-enal
CID 24796886
3-Ethoxyhex-5-enal
CID 57827568
3-Methoxy-5-hexenal
CID 57827767
(2R,3S)-3-(1-ethoxyethoxy)-2-methylhex-5-enal
CID 50900157
(4S)-4-(methoxymethoxy)hept-6-enal
CID 50922924
(3S)-3-(methoxymethoxy)hex-5-enal
CID 57380586
(3S)-3-ethoxyhex-5-enal
CID 129388583
(3R)-3-ethoxyhex-5-enal
CID 129388584
3-(Methoxymethoxy)pent-4-enal
CID 130035780
(3R)-3-(methoxymethoxy)pent-4-enal
CID 130645151

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(methoxymethoxy)hex-5-enal?
The IUPAC name of (3R)-3-(methoxymethoxy)hex-5-enal (CID 44604002) is (3R)-3-(methoxymethoxy)hex-5-enal.
What is the SMILES notation for (3R)-3-(methoxymethoxy)hex-5-enal?
The canonical SMILES for (3R)-3-(methoxymethoxy)hex-5-enal is C=CC[C@H](CC=O)OCOC.
What is the InChIKey of (3R)-3-(methoxymethoxy)hex-5-enal?
The InChIKey is LUSXUJMRBDENLE-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H14O3/c1-3-4-8(5-6-9)11-7-10-2/h3,6,8H,1,4-5,7H2,2H3/t8-/m1/s1.
What are the key properties of (3R)-3-(methoxymethoxy)hex-5-enal?
(3R)-3-(methoxymethoxy)hex-5-enal has a molecular weight of 158.20 g/mol, XLogP of 1.14, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(methoxymethoxy)hex-5-enal is sourced from PubChem (CID 44604002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).