(6-methylnaphthalen-2-yl) propyl carbonate;propane

C18H24O3 — CID 123704980

IUPAC(6-methylnaphthalen-2-yl) propyl carbonate;propane
SMILESCCC.CCCOC(=O)Oc1ccc2cc(C)ccc2c1
InChIInChI=1S/C15H16O3.C3H8/c1-3-8-17-15(16)18-14-7-6-12-9-11(2)4-5-13(12)10-14;1-3-2/h4-7,9-10H,3,8H2,1-2H3;3H2,1-2H3
InChIKeyVBRSNPJZYVYZIY-UHFFFAOYSA-N
MW288.39 g/mol
LogP5.49
Rot. Bonds3

About (6-methylnaphthalen-2-yl) propyl carbonate;propane

(6-methylnaphthalen-2-yl) propyl carbonate;propane (PubChem CID 123704980) has the molecular formula C18H24O3 and a molecular weight of 288.39 g/mol. Its IUPAC name is (6-methylnaphthalen-2-yl) propyl carbonate;propane.

Molecular Properties

Compound Name(6-methylnaphthalen-2-yl) propyl carbonate;propane
PubChem CID123704980
Molecular FormulaC18H24O3
Molecular Weight288.39 g/mol
Exact Mass288.17
IUPAC Name(6-methylnaphthalen-2-yl) propyl carbonate;propane
SMILESCCC.CCCOC(=O)Oc1ccc2cc(C)ccc2c1
InChIInChI=1S/C15H16O3.C3H8/c1-3-8-17-15(16)18-14-7-6-12-9-11(2)4-5-13(12)10-14;1-3-2/h4-7,9-10H,3,8H2,1-2H3;3H2,1-2H3
InChIKeyVBRSNPJZYVYZIY-UHFFFAOYSA-N
XLogP5.49
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.39
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(6-methylnaphthalen-2-yl) propyl carbonate
CID 58232642
(7-methylnaphthalen-2-yl) propanoate
CID 23046881
(6-methylnaphthalen-2-yl) 6-(4-prop-2-enoyloxybutoxycarbonyloxy)naphthalene-2-carboxylate
CID 123854949
2,3-dihydro-1H-benzotriazol-5-yl propyl carbonate
CID 121274700
(3-chlorophenyl) propyl carbonate
CID 91713194
[5-(6-butoxycarbonyloxy-2-hydroxynaphthalen-1-yl)-6-hydroxynaphthalen-2-yl] butyl carbonate
CID 118121817
2,6-dimethylnaphthalene;propane
CID 142191183
2-butoxy-6-methylnaphthalene
CID 58718847
(4-methylphenyl) 2-sulfanylethyl carbonate
CID 166767633
2-chloroethyl (3-methylphenyl) carbonate
CID 91704252
(3,4-dimethylphenyl) ethyl carbonate
CID 19704470
4-hydroxybutyl (4-methylphenyl) carbonate
CID 126720991

Frequently Asked Questions

What is the IUPAC name of (6-methylnaphthalen-2-yl) propyl carbonate;propane?
The IUPAC name of (6-methylnaphthalen-2-yl) propyl carbonate;propane (CID 123704980) is (6-methylnaphthalen-2-yl) propyl carbonate;propane.
What is the SMILES notation for (6-methylnaphthalen-2-yl) propyl carbonate;propane?
The canonical SMILES for (6-methylnaphthalen-2-yl) propyl carbonate;propane is CCC.CCCOC(=O)Oc1ccc2cc(C)ccc2c1.
What is the InChIKey of (6-methylnaphthalen-2-yl) propyl carbonate;propane?
The InChIKey is VBRSNPJZYVYZIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O3.C3H8/c1-3-8-17-15(16)18-14-7-6-12-9-11(2)4-5-13(12)10-14;1-3-2/h4-7,9-10H,3,8H2,1-2H3;3H2,1-2H3.
What are the key properties of (6-methylnaphthalen-2-yl) propyl carbonate;propane?
(6-methylnaphthalen-2-yl) propyl carbonate;propane has a molecular weight of 288.39 g/mol, XLogP of 5.49, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methylnaphthalen-2-yl) propyl carbonate;propane is sourced from PubChem (CID 123704980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).