5-octadecyl-1H-indene

C27H44 — CID 90751202

IUPAC5-octadecyl-1H-indene
SMILESCCCCCCCCCCCCCCCCCCc1ccc2c(c1)C=CC2
InChIInChI=1S/C27H44/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-25-22-23-26-20-18-21-27(26)24-25/h18,21-24H,2-17,19-20H2,1H3
InChIKeyWEQVKPNWQLUBON-UHFFFAOYSA-N
MW368.65 g/mol
LogP9.06
Rot. Bonds17

About 5-octadecyl-1H-indene

5-octadecyl-1H-indene (PubChem CID 90751202) has the molecular formula C27H44 and a molecular weight of 368.65 g/mol. Its IUPAC name is 5-octadecyl-1H-indene.

Molecular Properties

Compound Name5-octadecyl-1H-indene
PubChem CID90751202
Molecular FormulaC27H44
Molecular Weight368.65 g/mol
Exact Mass368.34
IUPAC Name5-octadecyl-1H-indene
SMILESCCCCCCCCCCCCCCCCCCc1ccc2c(c1)C=CC2
InChIInChI=1S/C27H44/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-25-22-23-26-20-18-21-27(26)24-25/h18,21-24H,2-17,19-20H2,1H3
InChIKeyWEQVKPNWQLUBON-UHFFFAOYSA-N
XLogP9.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds17
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.65
LogP ≤ 59.06
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

5-(2-methylpropyl)-1H-indene
CID 18314914
ethane;5-(2-methylpropyl)-1H-indene
CID 162282663
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3,8-di(nonyl)-6,11-dihydro-5H-benzo[b][1]benzazepine
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2-hexyl-9H-fluorene
CID 2801684
3-docosyl-9H-fluorene
CID 141425169
3-tricosyl-9H-fluorene
CID 141426174
3-hexyl-9H-fluorene
CID 141425158
2-decyl-9H-fluorene
CID 21095311
1,3-di(tetradecyl)benzene
CID 91053224
6,15-dihexylpentacyclo[10.6.0.03,10.04,9.013,18]octadeca-1,3(10),4(9),5,7,11,13(18),14,16-nonaene
CID 162784810
1,2-dimethyl-4-octylbenzene
CID 14044616

Frequently Asked Questions

What is the IUPAC name of 5-octadecyl-1H-indene?
The IUPAC name of 5-octadecyl-1H-indene (CID 90751202) is 5-octadecyl-1H-indene.
What is the SMILES notation for 5-octadecyl-1H-indene?
The canonical SMILES for 5-octadecyl-1H-indene is CCCCCCCCCCCCCCCCCCc1ccc2c(c1)C=CC2.
What is the InChIKey of 5-octadecyl-1H-indene?
The InChIKey is WEQVKPNWQLUBON-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H44/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-25-22-23-26-20-18-21-27(26)24-25/h18,21-24H,2-17,19-20H2,1H3.
What are the key properties of 5-octadecyl-1H-indene?
5-octadecyl-1H-indene has a molecular weight of 368.65 g/mol, XLogP of 9.06, 17 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-octadecyl-1H-indene is sourced from PubChem (CID 90751202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).