naphthalen-1-yl pentyl carbonate

C16H18O3 — CID 175011067

IUPACnaphthalen-1-yl pentyl carbonate
SMILESCCCCCOC(=O)Oc1cccc2ccccc12
InChIInChI=1S/C16H18O3/c1-2-3-6-12-18-16(17)19-15-11-7-9-13-8-4-5-10-14(13)15/h4-5,7-11H,2-3,6,12H2,1H3
InChIKeyOWZBIAZWCDKSCG-UHFFFAOYSA-N
MW258.32 g/mol
LogP4.55
Rot. Bonds5

About naphthalen-1-yl pentyl carbonate

naphthalen-1-yl pentyl carbonate (PubChem CID 175011067) has the molecular formula C16H18O3 and a molecular weight of 258.32 g/mol. Its IUPAC name is naphthalen-1-yl pentyl carbonate.

Molecular Properties

Compound Namenaphthalen-1-yl pentyl carbonate
PubChem CID175011067
Molecular FormulaC16H18O3
Molecular Weight258.32 g/mol
Exact Mass258.13
IUPAC Namenaphthalen-1-yl pentyl carbonate
SMILESCCCCCOC(=O)Oc1cccc2ccccc12
InChIInChI=1S/C16H18O3/c1-2-3-6-12-18-16(17)19-15-11-7-9-13-8-4-5-10-14(13)15/h4-5,7-11H,2-3,6,12H2,1H3
InChIKeyOWZBIAZWCDKSCG-UHFFFAOYSA-N
XLogP4.55
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

chrysen-1-yl hexyl carbonate
CID 175200150
1-O-heptyl 2-O-naphthalen-1-yl benzene-1,2-dicarboxylate
CID 6423492
10-O-naphthalen-1-yl 1-O-pentyl decanedioate
CID 91718885
(2-aminophenyl) pentyl carbonate
CID 139745164
[2-[(2-octoxycarbonyloxyphenyl)methyl]phenyl] octyl carbonate
CID 150788215
octyl (2-pentylphenyl) carbonate
CID 67181173
(2-butylphenyl) hexyl carbonate
CID 67178148
hexyl (2-propylphenyl) carbonate
CID 67179757
hexyl (2-phenylphenyl) carbonate
CID 67180373
(2,3-dipentylphenyl) pentyl carbonate
CID 67178125
octyl [2-(trifluoromethyl)phenyl] carbonate
CID 154202419
butyl (2-decylphenyl) carbonate
CID 67182932

Frequently Asked Questions

What is the IUPAC name of naphthalen-1-yl pentyl carbonate?
The IUPAC name of naphthalen-1-yl pentyl carbonate (CID 175011067) is naphthalen-1-yl pentyl carbonate.
What is the SMILES notation for naphthalen-1-yl pentyl carbonate?
The canonical SMILES for naphthalen-1-yl pentyl carbonate is CCCCCOC(=O)Oc1cccc2ccccc12.
What is the InChIKey of naphthalen-1-yl pentyl carbonate?
The InChIKey is OWZBIAZWCDKSCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O3/c1-2-3-6-12-18-16(17)19-15-11-7-9-13-8-4-5-10-14(13)15/h4-5,7-11H,2-3,6,12H2,1H3.
What are the key properties of naphthalen-1-yl pentyl carbonate?
naphthalen-1-yl pentyl carbonate has a molecular weight of 258.32 g/mol, XLogP of 4.55, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-1-yl pentyl carbonate is sourced from PubChem (CID 175011067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).