3-ethyl-2-(3-ethylpentadecan-2-yloxy)pentadecane

C34H70O — CID 88652177

IUPAC3-ethyl-2-(3-ethylpentadecan-2-yloxy)pentadecane
SMILESCCCCCCCCCCCCC(CC)C(C)OC(C)C(CC)CCCCCCCCCCCC
InChIInChI=1S/C34H70O/c1-7-11-13-15-17-19-21-23-25-27-29-33(9-3)31(5)35-32(6)34(10-4)30-28-26-24-22-20-18-16-14-12-8-2/h31-34H,7-30H2,1-6H3
InChIKeyNSZHZIHARUXURU-UHFFFAOYSA-N
MW494.93 g/mol
LogP12.45
Rot. Bonds28

About 3-ethyl-2-(3-ethylpentadecan-2-yloxy)pentadecane

3-ethyl-2-(3-ethylpentadecan-2-yloxy)pentadecane (PubChem CID 88652177) has the molecular formula C34H70O and a molecular weight of 494.93 g/mol. Its IUPAC name is 3-ethyl-2-(3-ethylpentadecan-2-yloxy)pentadecane.

Molecular Properties

Compound Name3-ethyl-2-(3-ethylpentadecan-2-yloxy)pentadecane
PubChem CID88652177
Molecular FormulaC34H70O
Molecular Weight494.93 g/mol
Exact Mass494.54
IUPAC Name3-ethyl-2-(3-ethylpentadecan-2-yloxy)pentadecane
SMILESCCCCCCCCCCCCC(CC)C(C)OC(C)C(CC)CCCCCCCCCCCC
InChIInChI=1S/C34H70O/c1-7-11-13-15-17-19-21-23-25-27-29-33(9-3)31(5)35-32(6)34(10-4)30-28-26-24-22-20-18-16-14-12-8-2/h31-34H,7-30H2,1-6H3
InChIKeyNSZHZIHARUXURU-UHFFFAOYSA-N
XLogP12.45
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds28
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.93
LogP ≤ 512.45
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

4-ethyl-3-methylundecane
CID 57279647
9,10-diethyloctadecane
CID 530164
19-heptadecan-3-ylnonatriacontane
CID 57212477
6-ethyl-7-pentyltetradecane
CID 123140274
5,6-diethyldodecane
CID 90761715
8-ethyl-7-methylhexadecane
CID 56974440
5-butyl-6-ethyldodecane
CID 529932
7,8-dihexylicosane
CID 21490611
9,10-dioctylhexacosane
CID 21470284
7-ethyl-6-propyltridecane
CID 530352
3-ethyl-N-(3-ethylundecan-2-yl)undecan-2-amine
CID 122467616
6-propan-2-yltridecane
CID 123704479

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-(3-ethylpentadecan-2-yloxy)pentadecane?
The IUPAC name of 3-ethyl-2-(3-ethylpentadecan-2-yloxy)pentadecane (CID 88652177) is 3-ethyl-2-(3-ethylpentadecan-2-yloxy)pentadecane.
What is the SMILES notation for 3-ethyl-2-(3-ethylpentadecan-2-yloxy)pentadecane?
The canonical SMILES for 3-ethyl-2-(3-ethylpentadecan-2-yloxy)pentadecane is CCCCCCCCCCCCC(CC)C(C)OC(C)C(CC)CCCCCCCCCCCC.
What is the InChIKey of 3-ethyl-2-(3-ethylpentadecan-2-yloxy)pentadecane?
The InChIKey is NSZHZIHARUXURU-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H70O/c1-7-11-13-15-17-19-21-23-25-27-29-33(9-3)31(5)35-32(6)34(10-4)30-28-26-24-22-20-18-16-14-12-8-2/h31-34H,7-30H2,1-6H3.
What are the key properties of 3-ethyl-2-(3-ethylpentadecan-2-yloxy)pentadecane?
3-ethyl-2-(3-ethylpentadecan-2-yloxy)pentadecane has a molecular weight of 494.93 g/mol, XLogP of 12.45, 28 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-(3-ethylpentadecan-2-yloxy)pentadecane is sourced from PubChem (CID 88652177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).