(4S)-4-(methoxymethoxy)hept-6-enal

C9H16O3 — CID 50922924

IUPAC(4S)-4-(methoxymethoxy)hept-6-enal
SMILESC=CC[C@H](CCC=O)OCOC
InChIInChI=1S/C9H16O3/c1-3-5-9(6-4-7-10)12-8-11-2/h3,7,9H,1,4-6,8H2,2H3/t9-/m1/s1
InChIKeyDRNHQMMRHMQJBK-SECBINFHSA-N
MW172.22 g/mol
LogP1.53
Rot. Bonds8

About (4S)-4-(methoxymethoxy)hept-6-enal

(4S)-4-(methoxymethoxy)hept-6-enal (PubChem CID 50922924) has the molecular formula C9H16O3 and a molecular weight of 172.22 g/mol. Its IUPAC name is (4S)-4-(methoxymethoxy)hept-6-enal.

Molecular Properties

Compound Name(4S)-4-(methoxymethoxy)hept-6-enal
PubChem CID50922924
Molecular FormulaC9H16O3
Molecular Weight172.22 g/mol
Exact Mass172.11
IUPAC Name(4S)-4-(methoxymethoxy)hept-6-enal
SMILESC=CC[C@H](CCC=O)OCOC
InChIInChI=1S/C9H16O3/c1-3-5-9(6-4-7-10)12-8-11-2/h3,7,9H,1,4-6,8H2,2H3/t9-/m1/s1
InChIKeyDRNHQMMRHMQJBK-SECBINFHSA-N
XLogP1.53
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.22
LogP ≤ 51.53
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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Frequently Asked Questions

What is the IUPAC name of (4S)-4-(methoxymethoxy)hept-6-enal?
The IUPAC name of (4S)-4-(methoxymethoxy)hept-6-enal (CID 50922924) is (4S)-4-(methoxymethoxy)hept-6-enal.
What is the SMILES notation for (4S)-4-(methoxymethoxy)hept-6-enal?
The canonical SMILES for (4S)-4-(methoxymethoxy)hept-6-enal is C=CC[C@H](CCC=O)OCOC.
What is the InChIKey of (4S)-4-(methoxymethoxy)hept-6-enal?
The InChIKey is DRNHQMMRHMQJBK-SECBINFHSA-N. The full InChI is InChI=1S/C9H16O3/c1-3-5-9(6-4-7-10)12-8-11-2/h3,7,9H,1,4-6,8H2,2H3/t9-/m1/s1.
What are the key properties of (4S)-4-(methoxymethoxy)hept-6-enal?
(4S)-4-(methoxymethoxy)hept-6-enal has a molecular weight of 172.22 g/mol, XLogP of 1.53, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(methoxymethoxy)hept-6-enal is sourced from PubChem (CID 50922924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).