1,1,1,9,9,9-hexamethoxynonane

C15H32O6 — CID 161375349

IUPAC1,1,1,9,9,9-hexamethoxynonane
SMILESCOC(CCCCCCCC(OC)(OC)OC)(OC)OC
InChIInChI=1S/C15H32O6/c1-16-14(17-2,18-3)12-10-8-7-9-11-13-15(19-4,20-5)21-6/h7-13H2,1-6H3
InChIKeyVQZSZYPCNXKCRF-UHFFFAOYSA-N
MW308.42 g/mol
LogP2.90
Rot. Bonds14

About 1,1,1,9,9,9-hexamethoxynonane

1,1,1,9,9,9-hexamethoxynonane (PubChem CID 161375349) has the molecular formula C15H32O6 and a molecular weight of 308.42 g/mol. Its IUPAC name is 1,1,1,9,9,9-hexamethoxynonane.

Molecular Properties

Compound Name1,1,1,9,9,9-hexamethoxynonane
PubChem CID161375349
Molecular FormulaC15H32O6
Molecular Weight308.42 g/mol
Exact Mass308.22
IUPAC Name1,1,1,9,9,9-hexamethoxynonane
SMILESCOC(CCCCCCCC(OC)(OC)OC)(OC)OC
InChIInChI=1S/C15H32O6/c1-16-14(17-2,18-3)12-10-8-7-9-11-13-15(19-4,20-5)21-6/h7-13H2,1-6H3
InChIKeyVQZSZYPCNXKCRF-UHFFFAOYSA-N
XLogP2.90
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

1,1,1,23,23,23-hexamethoxytricosane
CID 150492552
1,1,1,27,27,27-hexamethoxyheptacosane
CID 150189125
1,1,1,25,25,25-hexamethoxypentacosane
CID 151063523
1,1,1-trimethoxytridecane
CID 102481821
CID 53438226
CID 53438226
13-chloro-1,1,1-trimethoxytridecane
CID 150619368
1,1,1,21,21,21-hexamethoxy-11,11-dipropylhenicosane
CID 151648189
1,1,1,29,29,29-hexamethoxy-14,16-bis(13,13,13-trimethoxytridecyl)nonacosane-14,16-diamine
CID 151041000
N,N'-bis(13,13,13-trimethoxytridecyl)ethane-1,2-diamine
CID 152542530
1,1,1-trimethoxy-12-(12,12,12-trimethoxydodecyltetrasulfanyl)dodecane
CID 151026166
ethene;10-ethoxy-1,1,1-trimethoxydecane
CID 159955501
N'-(7,7,7-trimethoxyheptyl)ethane-1,2-diamine
CID 162247771

Frequently Asked Questions

What is the IUPAC name of 1,1,1,9,9,9-hexamethoxynonane?
The IUPAC name of 1,1,1,9,9,9-hexamethoxynonane (CID 161375349) is 1,1,1,9,9,9-hexamethoxynonane.
What is the SMILES notation for 1,1,1,9,9,9-hexamethoxynonane?
The canonical SMILES for 1,1,1,9,9,9-hexamethoxynonane is COC(CCCCCCCC(OC)(OC)OC)(OC)OC.
What is the InChIKey of 1,1,1,9,9,9-hexamethoxynonane?
The InChIKey is VQZSZYPCNXKCRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32O6/c1-16-14(17-2,18-3)12-10-8-7-9-11-13-15(19-4,20-5)21-6/h7-13H2,1-6H3.
What are the key properties of 1,1,1,9,9,9-hexamethoxynonane?
1,1,1,9,9,9-hexamethoxynonane has a molecular weight of 308.42 g/mol, XLogP of 2.90, 14 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,9,9,9-hexamethoxynonane is sourced from PubChem (CID 161375349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).