3-[dihexoxy(methoxy)methyl]undec-1-ene

C25H50O3 — CID 151120390

IUPAC3-[dihexoxy(methoxy)methyl]undec-1-ene
SMILESC=CC(CCCCCCCC)C(OC)(OCCCCCC)OCCCCCC
InChIInChI=1S/C25H50O3/c1-6-10-13-16-17-18-21-24(9-4)25(26-5,27-22-19-14-11-7-2)28-23-20-15-12-8-3/h9,24H,4,6-8,10-23H2,1-3,5H3
InChIKeyMSBDHZRRZMNSIQ-UHFFFAOYSA-N
MW398.67 g/mol
LogP8.03
Rot. Bonds22

About 3-[dihexoxy(methoxy)methyl]undec-1-ene

3-[dihexoxy(methoxy)methyl]undec-1-ene (PubChem CID 151120390) has the molecular formula C25H50O3 and a molecular weight of 398.67 g/mol. Its IUPAC name is 3-[dihexoxy(methoxy)methyl]undec-1-ene.

Molecular Properties

Compound Name3-[dihexoxy(methoxy)methyl]undec-1-ene
PubChem CID151120390
Molecular FormulaC25H50O3
Molecular Weight398.67 g/mol
Exact Mass398.38
IUPAC Name3-[dihexoxy(methoxy)methyl]undec-1-ene
SMILESC=CC(CCCCCCCC)C(OC)(OCCCCCC)OCCCCCC
InChIInChI=1S/C25H50O3/c1-6-10-13-16-17-18-21-24(9-4)25(26-5,27-22-19-14-11-7-2)28-23-20-15-12-8-3/h9,24H,4,6-8,10-23H2,1-3,5H3
InChIKeyMSBDHZRRZMNSIQ-UHFFFAOYSA-N
XLogP8.03
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds22
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.67
LogP ≤ 58.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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

3-(tributoxymethyl)undec-1-ene
CID 150329897
3-[tris(3-methoxypropoxy)methyl]undec-1-ene
CID 151233994
5-(butoxy-ethoxy-methoxymethyl)tridecane
CID 150034596
4-[ethoxy(dimethoxy)methyl]dodec-2-ene
CID 158734367
11-(tributoxymethyl)nonadec-1-ene
CID 151298820
7-ethenyl-1-[(2-methylpropan-2-yl)oxy]decane
CID 14622045
1-iodo-4-(tributoxymethyl)dodec-2-ene
CID 150616495
6-(trimethoxymethyl)tridecane
CID 151806345
(2-ethenyl-1,1-diphenoxydecoxy)benzene
CID 150684790
3-methoxy-10-octoxydec-1-ene
CID 141054986
1,1,1-trimethoxydecan-2-amine
CID 150913764
3-methoxynon-1-ene
CID 12563924

Frequently Asked Questions

What is the IUPAC name of 3-[dihexoxy(methoxy)methyl]undec-1-ene?
The IUPAC name of 3-[dihexoxy(methoxy)methyl]undec-1-ene (CID 151120390) is 3-[dihexoxy(methoxy)methyl]undec-1-ene.
What is the SMILES notation for 3-[dihexoxy(methoxy)methyl]undec-1-ene?
The canonical SMILES for 3-[dihexoxy(methoxy)methyl]undec-1-ene is C=CC(CCCCCCCC)C(OC)(OCCCCCC)OCCCCCC.
What is the InChIKey of 3-[dihexoxy(methoxy)methyl]undec-1-ene?
The InChIKey is MSBDHZRRZMNSIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H50O3/c1-6-10-13-16-17-18-21-24(9-4)25(26-5,27-22-19-14-11-7-2)28-23-20-15-12-8-3/h9,24H,4,6-8,10-23H2,1-3,5H3.
What are the key properties of 3-[dihexoxy(methoxy)methyl]undec-1-ene?
3-[dihexoxy(methoxy)methyl]undec-1-ene has a molecular weight of 398.67 g/mol, XLogP of 8.03, 22 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[dihexoxy(methoxy)methyl]undec-1-ene is sourced from PubChem (CID 151120390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).