(4-butan-2-yloxy-2-phenylbutan-2-yl) hydrogen carbonate

C15H22O4 — CID 90300409

IUPAC(4-butan-2-yloxy-2-phenylbutan-2-yl) hydrogen carbonate
SMILESCCC(C)OCCC(C)(OC(=O)O)c1ccccc1
InChIInChI=1S/C15H22O4/c1-4-12(2)18-11-10-15(3,19-14(16)17)13-8-6-5-7-9-13/h5-9,12H,4,10-11H2,1-3H3,(H,16,17)
InChIKeyIFVXKFHMOYHWSO-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.80
Rot. Bonds7

About (4-butan-2-yloxy-2-phenylbutan-2-yl) hydrogen carbonate

(4-butan-2-yloxy-2-phenylbutan-2-yl) hydrogen carbonate (PubChem CID 90300409) has the molecular formula C15H22O4 and a molecular weight of 266.34 g/mol. Its IUPAC name is (4-butan-2-yloxy-2-phenylbutan-2-yl) hydrogen carbonate.

Molecular Properties

Compound Name(4-butan-2-yloxy-2-phenylbutan-2-yl) hydrogen carbonate
PubChem CID90300409
Molecular FormulaC15H22O4
Molecular Weight266.34 g/mol
Exact Mass266.15
IUPAC Name(4-butan-2-yloxy-2-phenylbutan-2-yl) hydrogen carbonate
SMILESCCC(C)OCCC(C)(OC(=O)O)c1ccccc1
InChIInChI=1S/C15H22O4/c1-4-12(2)18-11-10-15(3,19-14(16)17)13-8-6-5-7-9-13/h5-9,12H,4,10-11H2,1-3H3,(H,16,17)
InChIKeyIFVXKFHMOYHWSO-UHFFFAOYSA-N
XLogP3.80
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-butan-2-yloxy-3-methyl-3-phenylbutan-2-yl) hydrogen carbonate
CID 150413034
2-phenylbutan-2-yl 2-methylbutanoate
CID 59331016
4-butan-2-yloxy-2-(ethylamino)-2-phenylbutan-1-ol
CID 116695550
(3-ethoxy-2-phenylpentan-2-yl) hydrogen carbonate
CID 90300567
methyl 2-(methylamino)-4-pentan-2-yloxy-2-phenylbutanoate
CID 102984075
1-amino-4-(4-methylpentan-2-yloxy)-2-phenylbutan-2-ol
CID 116696038
[3-(2-ethoxyethoxy)-2-methyl-3-phenylbutan-2-yl] hydrogen carbonate
CID 90300637
2-butan-2-yloxyethoxybenzene;2-(2-methoxyethoxy)butane
CID 91062489
2,2-di(butan-2-yloxy)-1,2-diphenylethanone
CID 19035365
2-(2-butan-2-yloxyethoxy)acetic acid
CID 58779511
phenyl (2-phenyl-1-propan-2-yloxypropan-2-yl) carbonate
CID 118088605
ethyl 2-(methylamino)-2-phenyl-4-propan-2-yloxybutanoate
CID 116694178

Frequently Asked Questions

What is the IUPAC name of (4-butan-2-yloxy-2-phenylbutan-2-yl) hydrogen carbonate?
The IUPAC name of (4-butan-2-yloxy-2-phenylbutan-2-yl) hydrogen carbonate (CID 90300409) is (4-butan-2-yloxy-2-phenylbutan-2-yl) hydrogen carbonate.
What is the SMILES notation for (4-butan-2-yloxy-2-phenylbutan-2-yl) hydrogen carbonate?
The canonical SMILES for (4-butan-2-yloxy-2-phenylbutan-2-yl) hydrogen carbonate is CCC(C)OCCC(C)(OC(=O)O)c1ccccc1.
What is the InChIKey of (4-butan-2-yloxy-2-phenylbutan-2-yl) hydrogen carbonate?
The InChIKey is IFVXKFHMOYHWSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O4/c1-4-12(2)18-11-10-15(3,19-14(16)17)13-8-6-5-7-9-13/h5-9,12H,4,10-11H2,1-3H3,(H,16,17).
What are the key properties of (4-butan-2-yloxy-2-phenylbutan-2-yl) hydrogen carbonate?
(4-butan-2-yloxy-2-phenylbutan-2-yl) hydrogen carbonate has a molecular weight of 266.34 g/mol, XLogP of 3.80, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-butan-2-yloxy-2-phenylbutan-2-yl) hydrogen carbonate is sourced from PubChem (CID 90300409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).