1,6-bis(2-ethenoxyethoxy)hexan-3-ylbenzene

C20H30O4 — CID 91160938

IUPAC1,6-bis(2-ethenoxyethoxy)hexan-3-ylbenzene
SMILESC=COCCOCCCC(CCOCCOC=C)c1ccccc1
InChIInChI=1S/C20H30O4/c1-3-21-15-17-23-13-8-11-20(19-9-6-5-7-10-19)12-14-24-18-16-22-4-2/h3-7,9-10,20H,1-2,8,11-18H2
InChIKeyLSRGKSNLNMPSHQ-UHFFFAOYSA-N
MW334.46 g/mol
LogP4.29
Rot. Bonds16

About 1,6-bis(2-ethenoxyethoxy)hexan-3-ylbenzene

1,6-bis(2-ethenoxyethoxy)hexan-3-ylbenzene (PubChem CID 91160938) has the molecular formula C20H30O4 and a molecular weight of 334.46 g/mol. Its IUPAC name is 1,6-bis(2-ethenoxyethoxy)hexan-3-ylbenzene.

Molecular Properties

Compound Name1,6-bis(2-ethenoxyethoxy)hexan-3-ylbenzene
PubChem CID91160938
Molecular FormulaC20H30O4
Molecular Weight334.46 g/mol
Exact Mass334.21
IUPAC Name1,6-bis(2-ethenoxyethoxy)hexan-3-ylbenzene
SMILESC=COCCOCCCC(CCOCCOC=C)c1ccccc1
InChIInChI=1S/C20H30O4/c1-3-21-15-17-23-13-8-11-20(19-9-6-5-7-10-19)12-14-24-18-16-22-4-2/h3-7,9-10,20H,1-2,8,11-18H2
InChIKeyLSRGKSNLNMPSHQ-UHFFFAOYSA-N
XLogP4.29
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,6-bis(2-ethenoxyethoxy)hexan-3-ylbenzene?
The IUPAC name of 1,6-bis(2-ethenoxyethoxy)hexan-3-ylbenzene (CID 91160938) is 1,6-bis(2-ethenoxyethoxy)hexan-3-ylbenzene.
What is the SMILES notation for 1,6-bis(2-ethenoxyethoxy)hexan-3-ylbenzene?
The canonical SMILES for 1,6-bis(2-ethenoxyethoxy)hexan-3-ylbenzene is C=COCCOCCCC(CCOCCOC=C)c1ccccc1.
What is the InChIKey of 1,6-bis(2-ethenoxyethoxy)hexan-3-ylbenzene?
The InChIKey is LSRGKSNLNMPSHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30O4/c1-3-21-15-17-23-13-8-11-20(19-9-6-5-7-10-19)12-14-24-18-16-22-4-2/h3-7,9-10,20H,1-2,8,11-18H2.
What are the key properties of 1,6-bis(2-ethenoxyethoxy)hexan-3-ylbenzene?
1,6-bis(2-ethenoxyethoxy)hexan-3-ylbenzene has a molecular weight of 334.46 g/mol, XLogP of 4.29, 16 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-bis(2-ethenoxyethoxy)hexan-3-ylbenzene is sourced from PubChem (CID 91160938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).