(Z,4R)-4-(2-methoxyethoxymethoxymethyl)-2-methylhex-2-enal

C12H22O4 — CID 118123282

IUPAC(Z,4R)-4-(2-methoxyethoxymethoxymethyl)-2-methylhex-2-enal
SMILESCC[C@H](/C=C(/C)C=O)COCOCCOC
InChIInChI=1S/C12H22O4/c1-4-12(7-11(2)8-13)9-16-10-15-6-5-14-3/h7-8,12H,4-6,9-10H2,1-3H3/b11-7-/t12-/m1/s1
InChIKeyDVLSRDANVBTVOV-SEVUFMINSA-N
MW230.30 g/mol
LogP1.79
Rot. Bonds10

About (Z,4R)-4-(2-methoxyethoxymethoxymethyl)-2-methylhex-2-enal

(Z,4R)-4-(2-methoxyethoxymethoxymethyl)-2-methylhex-2-enal (PubChem CID 118123282) has the molecular formula C12H22O4 and a molecular weight of 230.30 g/mol. Its IUPAC name is (Z,4R)-4-(2-methoxyethoxymethoxymethyl)-2-methylhex-2-enal.

Molecular Properties

Compound Name(Z,4R)-4-(2-methoxyethoxymethoxymethyl)-2-methylhex-2-enal
PubChem CID118123282
Molecular FormulaC12H22O4
Molecular Weight230.30 g/mol
Exact Mass230.15
IUPAC Name(Z,4R)-4-(2-methoxyethoxymethoxymethyl)-2-methylhex-2-enal
SMILESCC[C@H](/C=C(/C)C=O)COCOCCOC
InChIInChI=1S/C12H22O4/c1-4-12(7-11(2)8-13)9-16-10-15-6-5-14-3/h7-8,12H,4-6,9-10H2,1-3H3/b11-7-/t12-/m1/s1
InChIKeyDVLSRDANVBTVOV-SEVUFMINSA-N
XLogP1.79
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.30
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z,4R)-4-(2-methoxyethoxymethoxymethyl)-2-methylhex-2-enal?
The IUPAC name of (Z,4R)-4-(2-methoxyethoxymethoxymethyl)-2-methylhex-2-enal (CID 118123282) is (Z,4R)-4-(2-methoxyethoxymethoxymethyl)-2-methylhex-2-enal.
What is the SMILES notation for (Z,4R)-4-(2-methoxyethoxymethoxymethyl)-2-methylhex-2-enal?
The canonical SMILES for (Z,4R)-4-(2-methoxyethoxymethoxymethyl)-2-methylhex-2-enal is CC[C@H](/C=C(/C)C=O)COCOCCOC.
What is the InChIKey of (Z,4R)-4-(2-methoxyethoxymethoxymethyl)-2-methylhex-2-enal?
The InChIKey is DVLSRDANVBTVOV-SEVUFMINSA-N. The full InChI is InChI=1S/C12H22O4/c1-4-12(7-11(2)8-13)9-16-10-15-6-5-14-3/h7-8,12H,4-6,9-10H2,1-3H3/b11-7-/t12-/m1/s1.
What are the key properties of (Z,4R)-4-(2-methoxyethoxymethoxymethyl)-2-methylhex-2-enal?
(Z,4R)-4-(2-methoxyethoxymethoxymethyl)-2-methylhex-2-enal has a molecular weight of 230.30 g/mol, XLogP of 1.79, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,4R)-4-(2-methoxyethoxymethoxymethyl)-2-methylhex-2-enal is sourced from PubChem (CID 118123282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).