3-pentadecan-3-yloxypentadecane

C30H62O — CID 57200588

IUPAC3-pentadecan-3-yloxypentadecane
SMILESCCCCCCCCCCCCC(CC)OC(CC)CCCCCCCCCCCC
InChIInChI=1S/C30H62O/c1-5-9-11-13-15-17-19-21-23-25-27-29(7-3)31-30(8-4)28-26-24-22-20-18-16-14-12-10-6-2/h29-30H,5-28H2,1-4H3
InChIKeyLYCNXFGRSRVKAN-UHFFFAOYSA-N
MW438.83 g/mol
LogP11.18
Rot. Bonds26

About 3-pentadecan-3-yloxypentadecane

3-pentadecan-3-yloxypentadecane (PubChem CID 57200588) has the molecular formula C30H62O and a molecular weight of 438.83 g/mol. Its IUPAC name is 3-pentadecan-3-yloxypentadecane.

Molecular Properties

Compound Name3-pentadecan-3-yloxypentadecane
PubChem CID57200588
Molecular FormulaC30H62O
Molecular Weight438.83 g/mol
Exact Mass438.48
IUPAC Name3-pentadecan-3-yloxypentadecane
SMILESCCCCCCCCCCCCC(CC)OC(CC)CCCCCCCCCCCC
InChIInChI=1S/C30H62O/c1-5-9-11-13-15-17-19-21-23-25-27-29(7-3)31-30(8-4)28-26-24-22-20-18-16-14-12-10-6-2/h29-30H,5-28H2,1-4H3
InChIKeyLYCNXFGRSRVKAN-UHFFFAOYSA-N
XLogP11.18
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds26
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.83
LogP ≤ 511.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-icosan-3-yloxyicosane
CID 22595200
16-tetratriacontan-16-yloxytetratriacontane
CID 91150918
6-tricosan-6-yloxytricosane
CID 57279617
4-icosan-4-yloxyicosane
CID 87313284
4-hexadecan-5-yloxyhexadecane
CID 57069400
3-octan-3-yloxyoctane;phosphoric acid
CID 118002382
2-(1-hydroxyhexadecan-2-yloxy)hexadecan-1-ol
CID 87617738
2-methyl-10-(11-methyldodecan-3-yloxy)dodecane
CID 158091351
di(tricosan-3-yloxy)silane
CID 173236024
3-hydroperoxyoctane
CID 22268892
CID 22295533
CID 22295533
octadecan-3-yl dihydrogen phosphite
CID 87219240

Frequently Asked Questions

What is the IUPAC name of 3-pentadecan-3-yloxypentadecane?
The IUPAC name of 3-pentadecan-3-yloxypentadecane (CID 57200588) is 3-pentadecan-3-yloxypentadecane.
What is the SMILES notation for 3-pentadecan-3-yloxypentadecane?
The canonical SMILES for 3-pentadecan-3-yloxypentadecane is CCCCCCCCCCCCC(CC)OC(CC)CCCCCCCCCCCC.
What is the InChIKey of 3-pentadecan-3-yloxypentadecane?
The InChIKey is LYCNXFGRSRVKAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H62O/c1-5-9-11-13-15-17-19-21-23-25-27-29(7-3)31-30(8-4)28-26-24-22-20-18-16-14-12-10-6-2/h29-30H,5-28H2,1-4H3.
What are the key properties of 3-pentadecan-3-yloxypentadecane?
3-pentadecan-3-yloxypentadecane has a molecular weight of 438.83 g/mol, XLogP of 11.18, 26 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pentadecan-3-yloxypentadecane is sourced from PubChem (CID 57200588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).