1-(2-dodecoxydecoxy)dodecane

C34H70O2 — CID 175347971

IUPAC1-(2-dodecoxydecoxy)dodecane
SMILESCCCCCCCCCCCCOCC(CCCCCCCC)OCCCCCCCCCCCC
InChIInChI=1S/C34H70O2/c1-4-7-10-13-16-18-20-22-25-28-31-35-33-34(30-27-24-15-12-9-6-3)36-32-29-26-23-21-19-17-14-11-8-5-2/h34H,4-33H2,1-3H3
InChIKeyUNFPEQFUBBGHLR-UHFFFAOYSA-N
MW510.93 g/mol
LogP11.98
Rot. Bonds32

About 1-(2-dodecoxydecoxy)dodecane

1-(2-dodecoxydecoxy)dodecane (PubChem CID 175347971) has the molecular formula C34H70O2 and a molecular weight of 510.93 g/mol. Its IUPAC name is 1-(2-dodecoxydecoxy)dodecane.

Molecular Properties

Compound Name1-(2-dodecoxydecoxy)dodecane
PubChem CID175347971
Molecular FormulaC34H70O2
Molecular Weight510.93 g/mol
Exact Mass510.54
IUPAC Name1-(2-dodecoxydecoxy)dodecane
SMILESCCCCCCCCCCCCOCC(CCCCCCCC)OCCCCCCCCCCCC
InChIInChI=1S/C34H70O2/c1-4-7-10-13-16-18-20-22-25-28-31-35-33-34(30-27-24-15-12-9-6-3)36-32-29-26-23-21-19-17-14-11-8-5-2/h34H,4-33H2,1-3H3
InChIKeyUNFPEQFUBBGHLR-UHFFFAOYSA-N
XLogP11.98
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds32
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.93
LogP ≤ 511.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 19805858
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CID 102089285
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Frequently Asked Questions

What is the IUPAC name of 1-(2-dodecoxydecoxy)dodecane?
The IUPAC name of 1-(2-dodecoxydecoxy)dodecane (CID 175347971) is 1-(2-dodecoxydecoxy)dodecane.
What is the SMILES notation for 1-(2-dodecoxydecoxy)dodecane?
The canonical SMILES for 1-(2-dodecoxydecoxy)dodecane is CCCCCCCCCCCCOCC(CCCCCCCC)OCCCCCCCCCCCC.
What is the InChIKey of 1-(2-dodecoxydecoxy)dodecane?
The InChIKey is UNFPEQFUBBGHLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H70O2/c1-4-7-10-13-16-18-20-22-25-28-31-35-33-34(30-27-24-15-12-9-6-3)36-32-29-26-23-21-19-17-14-11-8-5-2/h34H,4-33H2,1-3H3.
What are the key properties of 1-(2-dodecoxydecoxy)dodecane?
1-(2-dodecoxydecoxy)dodecane has a molecular weight of 510.93 g/mol, XLogP of 11.98, 32 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-dodecoxydecoxy)dodecane is sourced from PubChem (CID 175347971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).