5-pentadecyl-1,2-dihydroacenaphthylene

C27H40 — CID 632484

IUPAC5-pentadecyl-1,2-dihydroacenaphthylene
SMILESCCCCCCCCCCCCCCCc1ccc2c3c(cccc13)CC2
InChIInChI=1S/C27H40/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-23-19-20-25-22-21-24-17-15-18-26(23)27(24)25/h15,17-20H,2-14,16,21-22H2,1H3
InChIKeyBTWSHSRQUSIAIC-UHFFFAOYSA-N
MW364.62 g/mol
LogP8.57
Rot. Bonds14

About 5-pentadecyl-1,2-dihydroacenaphthylene

5-pentadecyl-1,2-dihydroacenaphthylene (PubChem CID 632484) has the molecular formula C27H40 and a molecular weight of 364.62 g/mol. Its IUPAC name is 5-pentadecyl-1,2-dihydroacenaphthylene.

Molecular Properties

Compound Name5-pentadecyl-1,2-dihydroacenaphthylene
PubChem CID632484
Molecular FormulaC27H40
Molecular Weight364.62 g/mol
Exact Mass364.31
IUPAC Name5-pentadecyl-1,2-dihydroacenaphthylene
SMILESCCCCCCCCCCCCCCCc1ccc2c3c(cccc13)CC2
InChIInChI=1S/C27H40/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-23-19-20-25-22-21-24-17-15-18-26(23)27(24)25/h15,17-20H,2-14,16,21-22H2,1H3
InChIKeyBTWSHSRQUSIAIC-UHFFFAOYSA-N
XLogP8.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.62
LogP ≤ 58.57
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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Frequently Asked Questions

What is the IUPAC name of 5-pentadecyl-1,2-dihydroacenaphthylene?
The IUPAC name of 5-pentadecyl-1,2-dihydroacenaphthylene (CID 632484) is 5-pentadecyl-1,2-dihydroacenaphthylene.
What is the SMILES notation for 5-pentadecyl-1,2-dihydroacenaphthylene?
The canonical SMILES for 5-pentadecyl-1,2-dihydroacenaphthylene is CCCCCCCCCCCCCCCc1ccc2c3c(cccc13)CC2.
What is the InChIKey of 5-pentadecyl-1,2-dihydroacenaphthylene?
The InChIKey is BTWSHSRQUSIAIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H40/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-23-19-20-25-22-21-24-17-15-18-26(23)27(24)25/h15,17-20H,2-14,16,21-22H2,1H3.
What are the key properties of 5-pentadecyl-1,2-dihydroacenaphthylene?
5-pentadecyl-1,2-dihydroacenaphthylene has a molecular weight of 364.62 g/mol, XLogP of 8.57, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pentadecyl-1,2-dihydroacenaphthylene is sourced from PubChem (CID 632484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).