7-[10-(7-heptoxyheptoxy)decoxy]-7-[7-[10-(7-heptoxyheptoxy)decoxy]tridecan-7-yloxy]tridecane

C74H150O7 — CID 175370963

IUPAC7-[10-(7-heptoxyheptoxy)decoxy]-7-[7-[10-(7-heptoxyheptoxy)decoxy]tridecan-7-yloxy]tridecane
SMILESCCCCCCCOCCCCCCCOCCCCCCCCCCOC(CCCCCC)(CCCCCC)OC(CCCCCC)(CCCCCC)OCCCCCCCCCCOCCCCCCCOCCCCCCC
InChIInChI=1S/C74H150O7/c1-7-13-19-35-49-63-75-67-53-39-33-41-55-69-77-65-51-37-29-25-27-31-43-57-71-79-73(59-45-21-15-9-3,60-46-22-16-10-4)81-74(61-47-23-17-11-5,62-48-24-18-12-6)80-72-58-44-32-28-26-30-38-52-66-78-70-56-42-34-40-54-68-76-64-50-36-20-14-8-2/h7-72H2,1-6H3
InChIKeyDMVABKNYMSGSGQ-UHFFFAOYSA-N
MW1152.01 g/mol
LogP24.46
Rot. Bonds74

About 7-[10-(7-heptoxyheptoxy)decoxy]-7-[7-[10-(7-heptoxyheptoxy)decoxy]tridecan-7-yloxy]tridecane

7-[10-(7-heptoxyheptoxy)decoxy]-7-[7-[10-(7-heptoxyheptoxy)decoxy]tridecan-7-yloxy]tridecane (PubChem CID 175370963) has the molecular formula C74H150O7 and a molecular weight of 1152.01 g/mol. Its IUPAC name is 7-[10-(7-heptoxyheptoxy)decoxy]-7-[7-[10-(7-heptoxyheptoxy)decoxy]tridecan-7-yloxy]tridecane.

Molecular Properties

Compound Name7-[10-(7-heptoxyheptoxy)decoxy]-7-[7-[10-(7-heptoxyheptoxy)decoxy]tridecan-7-yloxy]tridecane
PubChem CID175370963
Molecular FormulaC74H150O7
Molecular Weight1152.01 g/mol
Exact Mass1151.14
IUPAC Name7-[10-(7-heptoxyheptoxy)decoxy]-7-[7-[10-(7-heptoxyheptoxy)decoxy]tridecan-7-yloxy]tridecane
SMILESCCCCCCCOCCCCCCCOCCCCCCCCCCOC(CCCCCC)(CCCCCC)OC(CCCCCC)(CCCCCC)OCCCCCCCCCCOCCCCCCCOCCCCCCC
InChIInChI=1S/C74H150O7/c1-7-13-19-35-49-63-75-67-53-39-33-41-55-69-77-65-51-37-29-25-27-31-43-57-71-79-73(59-45-21-15-9-3,60-46-22-16-10-4)81-74(61-47-23-17-11-5,62-48-24-18-12-6)80-72-58-44-32-28-26-30-38-52-66-78-70-56-42-34-40-54-68-76-64-50-36-20-14-8-2/h7-72H2,1-6H3
InChIKeyDMVABKNYMSGSGQ-UHFFFAOYSA-N
XLogP24.46
TPSA64.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds74
Heavy Atoms81
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001152.01
LogP ≤ 524.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

3-[1,3-di(tetradecoxy)hexadecan-3-yloxy]-1,3-di(tetradecoxy)hexadecane
CID 166067358
1-[6-(10,10-dimethylundecoxy)undecan-6-yloxy]-10,10-dimethylundecane
CID 150886508
4,4-dipentoxytridecane
CID 150402661
1-(5,5-dimethylhexoxy)octadecane
CID 172523117
5-methoxy-5-pentoxytetradecane
CID 161410500
10,10-dipropoxyicosane
CID 150666261
6,6-dipropoxydodecane
CID 89440027
1-decoxydocosane
CID 87077677
1-heptoxydocosane
CID 91692957
1-(6-pentadecoxyhexoxy)pentadecane
CID 139884766
1-heptacosoxyheptacosane
CID 57287180
1-(6-octadecoxyhexoxy)octadecane
CID 139884769

Frequently Asked Questions

What is the IUPAC name of 7-[10-(7-heptoxyheptoxy)decoxy]-7-[7-[10-(7-heptoxyheptoxy)decoxy]tridecan-7-yloxy]tridecane?
The IUPAC name of 7-[10-(7-heptoxyheptoxy)decoxy]-7-[7-[10-(7-heptoxyheptoxy)decoxy]tridecan-7-yloxy]tridecane (CID 175370963) is 7-[10-(7-heptoxyheptoxy)decoxy]-7-[7-[10-(7-heptoxyheptoxy)decoxy]tridecan-7-yloxy]tridecane.
What is the SMILES notation for 7-[10-(7-heptoxyheptoxy)decoxy]-7-[7-[10-(7-heptoxyheptoxy)decoxy]tridecan-7-yloxy]tridecane?
The canonical SMILES for 7-[10-(7-heptoxyheptoxy)decoxy]-7-[7-[10-(7-heptoxyheptoxy)decoxy]tridecan-7-yloxy]tridecane is CCCCCCCOCCCCCCCOCCCCCCCCCCOC(CCCCCC)(CCCCCC)OC(CCCCCC)(CCCCCC)OCCCCCCCCCCOCCCCCCCOCCCCCCC.
What is the InChIKey of 7-[10-(7-heptoxyheptoxy)decoxy]-7-[7-[10-(7-heptoxyheptoxy)decoxy]tridecan-7-yloxy]tridecane?
The InChIKey is DMVABKNYMSGSGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H150O7/c1-7-13-19-35-49-63-75-67-53-39-33-41-55-69-77-65-51-37-29-25-27-31-43-57-71-79-73(59-45-21-15-9-3,60-46-22-16-10-4)81-74(61-47-23-17-11-5,62-48-24-18-12-6)80-72-58-44-32-28-26-30-38-52-66-78-70-56-42-34-40-54-68-76-64-50-36-20-14-8-2/h7-72H2,1-6H3.
What are the key properties of 7-[10-(7-heptoxyheptoxy)decoxy]-7-[7-[10-(7-heptoxyheptoxy)decoxy]tridecan-7-yloxy]tridecane?
7-[10-(7-heptoxyheptoxy)decoxy]-7-[7-[10-(7-heptoxyheptoxy)decoxy]tridecan-7-yloxy]tridecane has a molecular weight of 1152.01 g/mol, XLogP of 24.46, 74 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[10-(7-heptoxyheptoxy)decoxy]-7-[7-[10-(7-heptoxyheptoxy)decoxy]tridecan-7-yloxy]tridecane is sourced from PubChem (CID 175370963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).