8-pentylheptadecane

C22H46 — CID 90754347

IUPAC8-pentylheptadecane
SMILESCCCCCCCCCC(CCCCC)CCCCCCC
InChIInChI=1S/C22H46/c1-4-7-10-12-13-15-18-21-22(19-16-9-6-3)20-17-14-11-8-5-2/h22H,4-21H2,1-3H3
InChIKeyJXTLVHJTXODHHI-UHFFFAOYSA-N
MW310.61 g/mol
LogP8.68
Rot. Bonds18

About 8-pentylheptadecane

8-pentylheptadecane (PubChem CID 90754347) has the molecular formula C22H46 and a molecular weight of 310.61 g/mol. Its IUPAC name is 8-pentylheptadecane.

Molecular Properties

Compound Name8-pentylheptadecane
PubChem CID90754347
Molecular FormulaC22H46
Molecular Weight310.61 g/mol
Exact Mass310.36
IUPAC Name8-pentylheptadecane
SMILESCCCCCCCCCC(CCCCC)CCCCCCC
InChIInChI=1S/C22H46/c1-4-7-10-12-13-15-18-21-22(19-16-9-6-3)20-17-14-11-8-5-2/h22H,4-21H2,1-3H3
InChIKeyJXTLVHJTXODHHI-UHFFFAOYSA-N
XLogP8.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds18
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.61
LogP ≤ 58.68
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

13-pentylheptacosane
CID 91387927
10-octylicosane
CID 20514731
7-pentylheptadecane
CID 528528
15-pentylheptatriacontane
CID 91048198
7-pentylnonadecane
CID 59903423
8-heptyloctadecane
CID 173205504
9-hexylicosane
CID 54443478
18-hexyl-53-octyl-13-pentyl-48-tetradecylnonahexacontane
CID 162711023
11-pentylheptacosane
CID 91575569
17-pentylhexatriacontane
CID 91327833
6-pentyldocosane
CID 90762104
20,26-di(heptadecyl)pentatetracontane
CID 102213068

Frequently Asked Questions

What is the IUPAC name of 8-pentylheptadecane?
The IUPAC name of 8-pentylheptadecane (CID 90754347) is 8-pentylheptadecane.
What is the SMILES notation for 8-pentylheptadecane?
The canonical SMILES for 8-pentylheptadecane is CCCCCCCCCC(CCCCC)CCCCCCC.
What is the InChIKey of 8-pentylheptadecane?
The InChIKey is JXTLVHJTXODHHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H46/c1-4-7-10-12-13-15-18-21-22(19-16-9-6-3)20-17-14-11-8-5-2/h22H,4-21H2,1-3H3.
What are the key properties of 8-pentylheptadecane?
8-pentylheptadecane has a molecular weight of 310.61 g/mol, XLogP of 8.68, 18 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8-pentylheptadecane is sourced from PubChem (CID 90754347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).