9-(2-methoxyethyl)-9-(trimethoxymethyl)nonadecane

C26H54O4 — CID 151814653

IUPAC9-(2-methoxyethyl)-9-(trimethoxymethyl)nonadecane
SMILESCCCCCCCCCCC(CCCCCCCC)(CCOC)C(OC)(OC)OC
InChIInChI=1S/C26H54O4/c1-7-9-11-13-15-16-18-20-22-25(23-24-27-3,26(28-4,29-5)30-6)21-19-17-14-12-10-8-2/h7-24H2,1-6H3
InChIKeySBIPVSJQTFVZRF-UHFFFAOYSA-N
MW430.71 g/mol
LogP7.88
Rot. Bonds23

About 9-(2-methoxyethyl)-9-(trimethoxymethyl)nonadecane

9-(2-methoxyethyl)-9-(trimethoxymethyl)nonadecane (PubChem CID 151814653) has the molecular formula C26H54O4 and a molecular weight of 430.71 g/mol. Its IUPAC name is 9-(2-methoxyethyl)-9-(trimethoxymethyl)nonadecane.

Molecular Properties

Compound Name9-(2-methoxyethyl)-9-(trimethoxymethyl)nonadecane
PubChem CID151814653
Molecular FormulaC26H54O4
Molecular Weight430.71 g/mol
Exact Mass430.40
IUPAC Name9-(2-methoxyethyl)-9-(trimethoxymethyl)nonadecane
SMILESCCCCCCCCCCC(CCCCCCCC)(CCOC)C(OC)(OC)OC
InChIInChI=1S/C26H54O4/c1-7-9-11-13-15-16-18-20-22-25(23-24-27-3,26(28-4,29-5)30-6)21-19-17-14-12-10-8-2/h7-24H2,1-6H3
InChIKeySBIPVSJQTFVZRF-UHFFFAOYSA-N
XLogP7.88
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds23
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.71
LogP ≤ 57.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

but-1-ene;4-propyl-4-(trimethoxymethyl)dodecane
CID 158535756
3-heptyl-3-(trimethoxymethyl)tetradecane-1,14-diamine
CID 151262909
5-methyl-5-(trimethoxymethyl)tridecane
CID 150316109
1,4,4-trimethoxytridecane
CID 150006661
1,1,1-trimethoxy-2,2-dimethyldecane
CID 150575533
1-methoxy-3-methyldodecan-3-amine
CID 62620545
1-methoxyhexacosane
CID 20780514
4-propyl-4-(triethoxymethyl)dodecane
CID 151365628
1,1,1-trimethoxytridecane
CID 102481821
11-methoxy-11-nonyltetracosane
CID 159441841
5-fluoro-5-methoxyhexadecane
CID 176907960
ethane;1-methoxy-3,3-dimethylheptane
CID 142973962

Frequently Asked Questions

What is the IUPAC name of 9-(2-methoxyethyl)-9-(trimethoxymethyl)nonadecane?
The IUPAC name of 9-(2-methoxyethyl)-9-(trimethoxymethyl)nonadecane (CID 151814653) is 9-(2-methoxyethyl)-9-(trimethoxymethyl)nonadecane.
What is the SMILES notation for 9-(2-methoxyethyl)-9-(trimethoxymethyl)nonadecane?
The canonical SMILES for 9-(2-methoxyethyl)-9-(trimethoxymethyl)nonadecane is CCCCCCCCCCC(CCCCCCCC)(CCOC)C(OC)(OC)OC.
What is the InChIKey of 9-(2-methoxyethyl)-9-(trimethoxymethyl)nonadecane?
The InChIKey is SBIPVSJQTFVZRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H54O4/c1-7-9-11-13-15-16-18-20-22-25(23-24-27-3,26(28-4,29-5)30-6)21-19-17-14-12-10-8-2/h7-24H2,1-6H3.
What are the key properties of 9-(2-methoxyethyl)-9-(trimethoxymethyl)nonadecane?
9-(2-methoxyethyl)-9-(trimethoxymethyl)nonadecane has a molecular weight of 430.71 g/mol, XLogP of 7.88, 23 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-methoxyethyl)-9-(trimethoxymethyl)nonadecane is sourced from PubChem (CID 151814653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).