tert-butyl (4-propan-2-yloxycarbonyloxycyclohexyl) carbonate

C15H26O6 — CID 23066882

IUPACtert-butyl (4-propan-2-yloxycarbonyloxycyclohexyl) carbonate
SMILESCC(C)OC(=O)OC1CCC(OC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C15H26O6/c1-10(2)18-13(16)19-11-6-8-12(9-7-11)20-14(17)21-15(3,4)5/h10-12H,6-9H2,1-5H3
InChIKeyPEKIGUSIPQFCLY-UHFFFAOYSA-N
MW302.37 g/mol
LogP3.81
Rot. Bonds3

About tert-butyl (4-propan-2-yloxycarbonyloxycyclohexyl) carbonate

tert-butyl (4-propan-2-yloxycarbonyloxycyclohexyl) carbonate (PubChem CID 23066882) has the molecular formula C15H26O6 and a molecular weight of 302.37 g/mol. Its IUPAC name is tert-butyl (4-propan-2-yloxycarbonyloxycyclohexyl) carbonate.

Molecular Properties

Compound Nametert-butyl (4-propan-2-yloxycarbonyloxycyclohexyl) carbonate
PubChem CID23066882
Molecular FormulaC15H26O6
Molecular Weight302.37 g/mol
Exact Mass302.17
IUPAC Nametert-butyl (4-propan-2-yloxycarbonyloxycyclohexyl) carbonate
SMILESCC(C)OC(=O)OC1CCC(OC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C15H26O6/c1-10(2)18-13(16)19-11-6-8-12(9-7-11)20-14(17)21-15(3,4)5/h10-12H,6-9H2,1-5H3
InChIKeyPEKIGUSIPQFCLY-UHFFFAOYSA-N
XLogP3.81
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl (4-cyclohexyloxycarbonyloxycyclohexyl) carbonate
CID 23066168
tert-butyl piperidin-4-yl carbonate
CID 22078382
[(2S)-butan-2-yl] cyclopropyl carbonate
CID 173085472
cyclopropyl 2,2-dimethylpentan-3-yl carbonate
CID 58430375
trans-tert-butyl (1R,3R)-3-methoxycarbonyloxycyclopentane-1-carboxylate
CID 174164240
tert-butyl [3-ethenyl-5-[(2-methylpropan-2-yl)oxycarbonyloxy]cyclohexyl] carbonate
CID 21185029
2-chloropropan-2-yl cyclohexyl carbonate
CID 163283556
1-cyclohexyloxycarbonyloxyethyl (3S)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 88979422
(4-propan-2-ylcyclohexyl) 2,3,3-trimethylbutanoate
CID 123610766
bis[4-(2-chloropropan-2-yl)cyclohexyl] carbonate
CID 162752471
tert-butyl hydroxy carbonate
CID 19428429
(1-chloro-1-iodoethyl) cyclohexyl carbonate
CID 69058507

Frequently Asked Questions

What is the IUPAC name of tert-butyl (4-propan-2-yloxycarbonyloxycyclohexyl) carbonate?
The IUPAC name of tert-butyl (4-propan-2-yloxycarbonyloxycyclohexyl) carbonate (CID 23066882) is tert-butyl (4-propan-2-yloxycarbonyloxycyclohexyl) carbonate.
What is the SMILES notation for tert-butyl (4-propan-2-yloxycarbonyloxycyclohexyl) carbonate?
The canonical SMILES for tert-butyl (4-propan-2-yloxycarbonyloxycyclohexyl) carbonate is CC(C)OC(=O)OC1CCC(OC(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl (4-propan-2-yloxycarbonyloxycyclohexyl) carbonate?
The InChIKey is PEKIGUSIPQFCLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O6/c1-10(2)18-13(16)19-11-6-8-12(9-7-11)20-14(17)21-15(3,4)5/h10-12H,6-9H2,1-5H3.
What are the key properties of tert-butyl (4-propan-2-yloxycarbonyloxycyclohexyl) carbonate?
tert-butyl (4-propan-2-yloxycarbonyloxycyclohexyl) carbonate has a molecular weight of 302.37 g/mol, XLogP of 3.81, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4-propan-2-yloxycarbonyloxycyclohexyl) carbonate is sourced from PubChem (CID 23066882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).