(5-butan-2-ylnaphthalen-1-yl) tert-butyl carbonate

C19H24O3 — CID 58078988

IUPAC(5-butan-2-ylnaphthalen-1-yl) tert-butyl carbonate
SMILESCCC(C)c1cccc2c(OC(=O)OC(C)(C)C)cccc12
InChIInChI=1S/C19H24O3/c1-6-13(2)14-9-7-11-16-15(14)10-8-12-17(16)21-18(20)22-19(3,4)5/h7-13H,6H2,1-5H3
InChIKeyBIWHVMVAINDHPD-UHFFFAOYSA-N
MW300.40 g/mol
LogP5.67
Rot. Bonds3

About (5-butan-2-ylnaphthalen-1-yl) tert-butyl carbonate

(5-butan-2-ylnaphthalen-1-yl) tert-butyl carbonate (PubChem CID 58078988) has the molecular formula C19H24O3 and a molecular weight of 300.40 g/mol. Its IUPAC name is (5-butan-2-ylnaphthalen-1-yl) tert-butyl carbonate.

Molecular Properties

Compound Name(5-butan-2-ylnaphthalen-1-yl) tert-butyl carbonate
PubChem CID58078988
Molecular FormulaC19H24O3
Molecular Weight300.40 g/mol
Exact Mass300.17
IUPAC Name(5-butan-2-ylnaphthalen-1-yl) tert-butyl carbonate
SMILESCCC(C)c1cccc2c(OC(=O)OC(C)(C)C)cccc12
InChIInChI=1S/C19H24O3/c1-6-13(2)14-9-7-11-16-15(14)10-8-12-17(16)21-18(20)22-19(3,4)5/h7-13H,6H2,1-5H3
InChIKeyBIWHVMVAINDHPD-UHFFFAOYSA-N
XLogP5.67
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.40
LogP ≤ 55.67
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

(2-butan-2-yl-6-propan-2-ylphenyl) acetate
CID 172616842
tert-butyl (4-fluorosulfanylnaphthalen-1-yl) carbonate
CID 155713367
tert-butyl (E)-3-(2-butan-2-yl-6-methoxyphenyl)prop-2-enoate
CID 132937378
tert-butyl (2,6-dimethoxyphenyl) carbonate
CID 19982983
5-butan-2-ylnaphthalen-1-ol;(5-butan-2-ylnaphthalen-1-yl) 3-oxatricyclo[3.2.1.02,4]octane-6-carboxylate
CID 158457062
tert-butyl [1-(diethoxymethyl)naphthalen-2-yl] carbonate
CID 67808032
(2-butan-2-ylphenyl) N-methylcarbamate
CID 19588
1,5-di(butan-2-yl)naphthalene-2-sulfonic acid
CID 57028772
naphthalen-1-yl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 91282149
[2,6-di(propan-2-yl)phenyl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 130300874
1-ethoxy-5-propan-2-ylnaphthalene
CID 176668059
(2-butan-2-yl-6-propan-2-ylphenyl) N-[(1R)-1-phenylethyl]carbamate
CID 59509797

Frequently Asked Questions

What is the IUPAC name of (5-butan-2-ylnaphthalen-1-yl) tert-butyl carbonate?
The IUPAC name of (5-butan-2-ylnaphthalen-1-yl) tert-butyl carbonate (CID 58078988) is (5-butan-2-ylnaphthalen-1-yl) tert-butyl carbonate.
What is the SMILES notation for (5-butan-2-ylnaphthalen-1-yl) tert-butyl carbonate?
The canonical SMILES for (5-butan-2-ylnaphthalen-1-yl) tert-butyl carbonate is CCC(C)c1cccc2c(OC(=O)OC(C)(C)C)cccc12.
What is the InChIKey of (5-butan-2-ylnaphthalen-1-yl) tert-butyl carbonate?
The InChIKey is BIWHVMVAINDHPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24O3/c1-6-13(2)14-9-7-11-16-15(14)10-8-12-17(16)21-18(20)22-19(3,4)5/h7-13H,6H2,1-5H3.
What are the key properties of (5-butan-2-ylnaphthalen-1-yl) tert-butyl carbonate?
(5-butan-2-ylnaphthalen-1-yl) tert-butyl carbonate has a molecular weight of 300.40 g/mol, XLogP of 5.67, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-butan-2-ylnaphthalen-1-yl) tert-butyl carbonate is sourced from PubChem (CID 58078988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).