[3-(3-methylbutoxycarbonyloxy)cyclohexyl] 2-methylpropyl carbonate

C17H30O6 — CID 23065867

IUPAC[3-(3-methylbutoxycarbonyloxy)cyclohexyl] 2-methylpropyl carbonate
SMILESCC(C)CCOC(=O)OC1CCCC(OC(=O)OCC(C)C)C1
InChIInChI=1S/C17H30O6/c1-12(2)8-9-20-16(18)22-14-6-5-7-15(10-14)23-17(19)21-11-13(3)4/h12-15H,5-11H2,1-4H3
InChIKeyDHKHZYVYSKJVJS-UHFFFAOYSA-N
MW330.42 g/mol
LogP4.31
Rot. Bonds7

About [3-(3-methylbutoxycarbonyloxy)cyclohexyl] 2-methylpropyl carbonate

[3-(3-methylbutoxycarbonyloxy)cyclohexyl] 2-methylpropyl carbonate (PubChem CID 23065867) has the molecular formula C17H30O6 and a molecular weight of 330.42 g/mol. Its IUPAC name is [3-(3-methylbutoxycarbonyloxy)cyclohexyl] 2-methylpropyl carbonate.

Molecular Properties

Compound Name[3-(3-methylbutoxycarbonyloxy)cyclohexyl] 2-methylpropyl carbonate
PubChem CID23065867
Molecular FormulaC17H30O6
Molecular Weight330.42 g/mol
Exact Mass330.20
IUPAC Name[3-(3-methylbutoxycarbonyloxy)cyclohexyl] 2-methylpropyl carbonate
SMILESCC(C)CCOC(=O)OC1CCCC(OC(=O)OCC(C)C)C1
InChIInChI=1S/C17H30O6/c1-12(2)8-9-20-16(18)22-14-6-5-7-15(10-14)23-17(19)21-11-13(3)4/h12-15H,5-11H2,1-4H3
InChIKeyDHKHZYVYSKJVJS-UHFFFAOYSA-N
XLogP4.31
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.42
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[3-(11-methyldodecoxycarbonyloxy)cyclohexyl] 2-methylpropyl carbonate
CID 23066888
[3-(3-methylbutoxycarbonyloxy)cyclohexyl] 9-methyldecyl carbonate
CID 23066071
[3-(9-methyldecoxycarbonyloxy)cyclohexyl] 6-methylheptyl carbonate
CID 23066705
[3-(9-methyldecoxycarbonyloxy)cyclohexyl] 11-methyldodecyl carbonate
CID 23066139
[3-(8-methylnonoxycarbonyloxy)cyclohexyl] 7-methyloctyl carbonate
CID 23066419
[3-(6-methylheptoxycarbonyloxy)cyclohexyl] 6-methylheptyl carbonate
CID 23066545
[3-(11-methyldodecoxycarbonyloxy)cyclohexyl] propan-2-yl carbonate
CID 23065854
3-O-(3-methylbutyl) 1-O-(2-methylpropyl) cyclohexane-1,3-dicarboxylate
CID 66984045
[4-(10-methylundecoxycarbonyloxy)cyclohexyl] 10-methylundecyl carbonate
CID 23066469
[4-(7-methyloctoxycarbonyloxy)cyclohexyl] 4-methylpentyl carbonate
CID 23066899
[2,3-bis(10-methylundecoxycarbonyloxy)cyclohexyl] 10-methylundecyl carbonate
CID 23065857
[2-(7-methyloctoxycarbonyloxy)cyclohexyl] 10-methylundecyl carbonate
CID 23066648

Frequently Asked Questions

What is the IUPAC name of [3-(3-methylbutoxycarbonyloxy)cyclohexyl] 2-methylpropyl carbonate?
The IUPAC name of [3-(3-methylbutoxycarbonyloxy)cyclohexyl] 2-methylpropyl carbonate (CID 23065867) is [3-(3-methylbutoxycarbonyloxy)cyclohexyl] 2-methylpropyl carbonate.
What is the SMILES notation for [3-(3-methylbutoxycarbonyloxy)cyclohexyl] 2-methylpropyl carbonate?
The canonical SMILES for [3-(3-methylbutoxycarbonyloxy)cyclohexyl] 2-methylpropyl carbonate is CC(C)CCOC(=O)OC1CCCC(OC(=O)OCC(C)C)C1.
What is the InChIKey of [3-(3-methylbutoxycarbonyloxy)cyclohexyl] 2-methylpropyl carbonate?
The InChIKey is DHKHZYVYSKJVJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O6/c1-12(2)8-9-20-16(18)22-14-6-5-7-15(10-14)23-17(19)21-11-13(3)4/h12-15H,5-11H2,1-4H3.
What are the key properties of [3-(3-methylbutoxycarbonyloxy)cyclohexyl] 2-methylpropyl carbonate?
[3-(3-methylbutoxycarbonyloxy)cyclohexyl] 2-methylpropyl carbonate has a molecular weight of 330.42 g/mol, XLogP of 4.31, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-methylbutoxycarbonyloxy)cyclohexyl] 2-methylpropyl carbonate is sourced from PubChem (CID 23065867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).