11-propoxy-10,10-bis(propoxymethyl)undec-1-ene

C22H44O3 — CID 101499678

IUPAC11-propoxy-10,10-bis(propoxymethyl)undec-1-ene
SMILESC=CCCCCCCCC(COCCC)(COCCC)COCCC
InChIInChI=1S/C22H44O3/c1-5-9-10-11-12-13-14-15-22(19-23-16-6-2,20-24-17-7-3)21-25-18-8-4/h5H,1,6-21H2,2-4H3
InChIKeyARHAXYUVRPCFPV-UHFFFAOYSA-N
MW356.59 g/mol
LogP6.17
Rot. Bonds20

About 11-propoxy-10,10-bis(propoxymethyl)undec-1-ene

11-propoxy-10,10-bis(propoxymethyl)undec-1-ene (PubChem CID 101499678) has the molecular formula C22H44O3 and a molecular weight of 356.59 g/mol. Its IUPAC name is 11-propoxy-10,10-bis(propoxymethyl)undec-1-ene.

Molecular Properties

Compound Name11-propoxy-10,10-bis(propoxymethyl)undec-1-ene
PubChem CID101499678
Molecular FormulaC22H44O3
Molecular Weight356.59 g/mol
Exact Mass356.33
IUPAC Name11-propoxy-10,10-bis(propoxymethyl)undec-1-ene
SMILESC=CCCCCCCCC(COCCC)(COCCC)COCCC
InChIInChI=1S/C22H44O3/c1-5-9-10-11-12-13-14-15-22(19-23-16-6-2,20-24-17-7-3)21-25-18-8-4/h5H,1,6-21H2,2-4H3
InChIKeyARHAXYUVRPCFPV-UHFFFAOYSA-N
XLogP6.17
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds20
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.59
LogP ≤ 56.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 11-propoxy-10,10-bis(propoxymethyl)undec-1-ene?
The IUPAC name of 11-propoxy-10,10-bis(propoxymethyl)undec-1-ene (CID 101499678) is 11-propoxy-10,10-bis(propoxymethyl)undec-1-ene.
What is the SMILES notation for 11-propoxy-10,10-bis(propoxymethyl)undec-1-ene?
The canonical SMILES for 11-propoxy-10,10-bis(propoxymethyl)undec-1-ene is C=CCCCCCCCC(COCCC)(COCCC)COCCC.
What is the InChIKey of 11-propoxy-10,10-bis(propoxymethyl)undec-1-ene?
The InChIKey is ARHAXYUVRPCFPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H44O3/c1-5-9-10-11-12-13-14-15-22(19-23-16-6-2,20-24-17-7-3)21-25-18-8-4/h5H,1,6-21H2,2-4H3.
What are the key properties of 11-propoxy-10,10-bis(propoxymethyl)undec-1-ene?
11-propoxy-10,10-bis(propoxymethyl)undec-1-ene has a molecular weight of 356.59 g/mol, XLogP of 6.17, 20 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-propoxy-10,10-bis(propoxymethyl)undec-1-ene is sourced from PubChem (CID 101499678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).