1,3-didecoxyundecane

C31H64O2 — CID 142711236

IUPAC1,3-didecoxyundecane
SMILESCCCCCCCCCCOCCC(CCCCCCCC)OCCCCCCCCCC
InChIInChI=1S/C31H64O2/c1-4-7-10-13-16-18-21-24-28-32-30-27-31(26-23-20-15-12-9-6-3)33-29-25-22-19-17-14-11-8-5-2/h31H,4-30H2,1-3H3
InChIKeyKRWPPENQNYYAMJ-UHFFFAOYSA-N
MW468.85 g/mol
LogP10.81
Rot. Bonds29

About 1,3-didecoxyundecane

1,3-didecoxyundecane (PubChem CID 142711236) has the molecular formula C31H64O2 and a molecular weight of 468.85 g/mol. Its IUPAC name is 1,3-didecoxyundecane.

Molecular Properties

Compound Name1,3-didecoxyundecane
PubChem CID142711236
Molecular FormulaC31H64O2
Molecular Weight468.85 g/mol
Exact Mass468.49
IUPAC Name1,3-didecoxyundecane
SMILESCCCCCCCCCCOCCC(CCCCCCCC)OCCCCCCCCCC
InChIInChI=1S/C31H64O2/c1-4-7-10-13-16-18-21-24-28-32-30-27-31(26-23-20-15-12-9-6-3)33-29-25-22-19-17-14-11-8-5-2/h31H,4-30H2,1-3H3
InChIKeyKRWPPENQNYYAMJ-UHFFFAOYSA-N
XLogP10.81
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds29
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.85
LogP ≤ 510.81
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 20520524
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1-methoxy-10-(4-octoxy-2-pentoxybutoxy)decane
CID 102089285
3,7-didodecoxydodecane
CID 123502949
3-pentoxyhexadecan-1-amine
CID 153320725
1-[2,3-di(tridecoxy)propoxy]tridecane
CID 71331054
1-[2,3-di(octacosoxy)propoxy]octacosane
CID 139785017
5-docosan-5-yloxypentan-1-ol
CID 139884775
1-butoxy-6-ethoxynonane
CID 90996810
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CID 173435478

Frequently Asked Questions

What is the IUPAC name of 1,3-didecoxyundecane?
The IUPAC name of 1,3-didecoxyundecane (CID 142711236) is 1,3-didecoxyundecane.
What is the SMILES notation for 1,3-didecoxyundecane?
The canonical SMILES for 1,3-didecoxyundecane is CCCCCCCCCCOCCC(CCCCCCCC)OCCCCCCCCCC.
What is the InChIKey of 1,3-didecoxyundecane?
The InChIKey is KRWPPENQNYYAMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H64O2/c1-4-7-10-13-16-18-21-24-28-32-30-27-31(26-23-20-15-12-9-6-3)33-29-25-22-19-17-14-11-8-5-2/h31H,4-30H2,1-3H3.
What are the key properties of 1,3-didecoxyundecane?
1,3-didecoxyundecane has a molecular weight of 468.85 g/mol, XLogP of 10.81, 29 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-didecoxyundecane is sourced from PubChem (CID 142711236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).