8-butan-2-yl-6-ethylpentadecane

C21H44 — CID 123398993

IUPAC8-butan-2-yl-6-ethylpentadecane
SMILESCCCCCCCC(CC(CC)CCCCC)C(C)CC
InChIInChI=1S/C21H44/c1-6-10-12-13-15-17-21(19(5)8-3)18-20(9-4)16-14-11-7-2/h19-21H,6-18H2,1-5H3
InChIKeyFTPJPMDLRDOXCV-UHFFFAOYSA-N
MW296.58 g/mol
LogP8.01
Rot. Bonds15

About 8-butan-2-yl-6-ethylpentadecane

8-butan-2-yl-6-ethylpentadecane (PubChem CID 123398993) has the molecular formula C21H44 and a molecular weight of 296.58 g/mol. Its IUPAC name is 8-butan-2-yl-6-ethylpentadecane.

Molecular Properties

Compound Name8-butan-2-yl-6-ethylpentadecane
PubChem CID123398993
Molecular FormulaC21H44
Molecular Weight296.58 g/mol
Exact Mass296.34
IUPAC Name8-butan-2-yl-6-ethylpentadecane
SMILESCCCCCCCC(CC(CC)CCCCC)C(C)CC
InChIInChI=1S/C21H44/c1-6-10-12-13-15-17-21(19(5)8-3)18-20(9-4)16-14-11-7-2/h19-21H,6-18H2,1-5H3
InChIKeyFTPJPMDLRDOXCV-UHFFFAOYSA-N
XLogP8.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.58
LogP ≤ 58.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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
5-butan-2-yl-3-methyldecane
CID 123136840
4-ethyl-2-methyldecane
CID 19893744
9-ethyl-11-heptylnonadecane
CID 90975246
9-ethyl-7-pentylhexadecane
CID 91283125
(8S,9R,11R)-11-ethyl-8-methyl-9-pentylhexadecan-7-amine
CID 89184947
11-ethyl-9-methylhenicosane
CID 154589575
5-(2-methylpropyl)-7-pentan-2-yltetradecane
CID 123467304
5-ethyl-7-methylhexadecane
CID 173452938
9,10-diethyloctadecane
CID 530164
3-ethylicosane
CID 528487
12-ethylhentriacontane
CID 91805956

Frequently Asked Questions

What is the IUPAC name of 8-butan-2-yl-6-ethylpentadecane?
The IUPAC name of 8-butan-2-yl-6-ethylpentadecane (CID 123398993) is 8-butan-2-yl-6-ethylpentadecane.
What is the SMILES notation for 8-butan-2-yl-6-ethylpentadecane?
The canonical SMILES for 8-butan-2-yl-6-ethylpentadecane is CCCCCCCC(CC(CC)CCCCC)C(C)CC.
What is the InChIKey of 8-butan-2-yl-6-ethylpentadecane?
The InChIKey is FTPJPMDLRDOXCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H44/c1-6-10-12-13-15-17-21(19(5)8-3)18-20(9-4)16-14-11-7-2/h19-21H,6-18H2,1-5H3.
What are the key properties of 8-butan-2-yl-6-ethylpentadecane?
8-butan-2-yl-6-ethylpentadecane has a molecular weight of 296.58 g/mol, XLogP of 8.01, 15 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8-butan-2-yl-6-ethylpentadecane is sourced from PubChem (CID 123398993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).