4-naphthalen-2-ylbutyl nonyl carbonate

C24H34O3 — CID 102088379

IUPAC4-naphthalen-2-ylbutyl nonyl carbonate
SMILESCCCCCCCCCOC(=O)OCCCCc1ccc2ccccc2c1
InChIInChI=1S/C24H34O3/c1-2-3-4-5-6-7-11-18-26-24(25)27-19-12-10-13-21-16-17-22-14-8-9-15-23(22)20-21/h8-9,14-17,20H,2-7,10-13,18-19H2,1H3
InChIKeyYOVJRZQZNBWVTQ-UHFFFAOYSA-N
MW370.53 g/mol
LogP7.07
Rot. Bonds13

About 4-naphthalen-2-ylbutyl nonyl carbonate

4-naphthalen-2-ylbutyl nonyl carbonate (PubChem CID 102088379) has the molecular formula C24H34O3 and a molecular weight of 370.53 g/mol. Its IUPAC name is 4-naphthalen-2-ylbutyl nonyl carbonate.

Molecular Properties

Compound Name4-naphthalen-2-ylbutyl nonyl carbonate
PubChem CID102088379
Molecular FormulaC24H34O3
Molecular Weight370.53 g/mol
Exact Mass370.25
IUPAC Name4-naphthalen-2-ylbutyl nonyl carbonate
SMILESCCCCCCCCCOC(=O)OCCCCc1ccc2ccccc2c1
InChIInChI=1S/C24H34O3/c1-2-3-4-5-6-7-11-18-26-24(25)27-19-12-10-13-21-16-17-22-14-8-9-15-23(22)20-21/h8-9,14-17,20H,2-7,10-13,18-19H2,1H3
InChIKeyYOVJRZQZNBWVTQ-UHFFFAOYSA-N
XLogP7.07
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.53
LogP ≤ 57.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

heptyl 7-phenylheptyl carbonate
CID 67251382
ethane;2-hexylnaphthalene
CID 142191207
2-octylanthracene
CID 23131226
octyl 2-amino-3-naphthalen-2-ylpropanoate
CID 166069428
(4-pentylphenyl) 5-phenylpentyl carbonate
CID 118690324
5-O-(naphthalen-2-ylmethyl) 1-O-nonyl pentanedioate
CID 91707978
(4-decylphenyl) heptyl carbonate
CID 118690290
2-[(E)-henicos-13-enyl]naphthalene
CID 101307743
butyl (4-decylphenyl) carbonate
CID 118690266
2-[(E)-docos-6-enyl]naphthalene
CID 101307769
2-[(E)-dodec-5-enyl]naphthalene
CID 101304407
2-(11-naphthalen-2-ylundecyl)naphthalene
CID 86035863

Frequently Asked Questions

What is the IUPAC name of 4-naphthalen-2-ylbutyl nonyl carbonate?
The IUPAC name of 4-naphthalen-2-ylbutyl nonyl carbonate (CID 102088379) is 4-naphthalen-2-ylbutyl nonyl carbonate.
What is the SMILES notation for 4-naphthalen-2-ylbutyl nonyl carbonate?
The canonical SMILES for 4-naphthalen-2-ylbutyl nonyl carbonate is CCCCCCCCCOC(=O)OCCCCc1ccc2ccccc2c1.
What is the InChIKey of 4-naphthalen-2-ylbutyl nonyl carbonate?
The InChIKey is YOVJRZQZNBWVTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34O3/c1-2-3-4-5-6-7-11-18-26-24(25)27-19-12-10-13-21-16-17-22-14-8-9-15-23(22)20-21/h8-9,14-17,20H,2-7,10-13,18-19H2,1H3.
What are the key properties of 4-naphthalen-2-ylbutyl nonyl carbonate?
4-naphthalen-2-ylbutyl nonyl carbonate has a molecular weight of 370.53 g/mol, XLogP of 7.07, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-naphthalen-2-ylbutyl nonyl carbonate is sourced from PubChem (CID 102088379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).