but-2-ene-1,4-diol;cyclohexyl cyclohexyloxycarbonyl carbonate

C18H30O7 — CID 158060696

IUPACbut-2-ene-1,4-diol;cyclohexyl cyclohexyloxycarbonyl carbonate
SMILESO=C(OC(=O)OC1CCCCC1)OC1CCCCC1.OCC=CCO
InChIInChI=1S/C14H22O5.C4H8O2/c15-13(17-11-7-3-1-4-8-11)19-14(16)18-12-9-5-2-6-10-12;5-3-1-2-4-6/h11-12H,1-10H2;1-2,5-6H,3-4H2
InChIKeyFKPGXKKYUXVXAW-UHFFFAOYSA-N
MW358.43 g/mol
LogP3.47
Rot. Bonds4

About but-2-ene-1,4-diol;cyclohexyl cyclohexyloxycarbonyl carbonate

but-2-ene-1,4-diol;cyclohexyl cyclohexyloxycarbonyl carbonate (PubChem CID 158060696) has the molecular formula C18H30O7 and a molecular weight of 358.43 g/mol. Its IUPAC name is but-2-ene-1,4-diol;cyclohexyl cyclohexyloxycarbonyl carbonate.

Molecular Properties

Compound Namebut-2-ene-1,4-diol;cyclohexyl cyclohexyloxycarbonyl carbonate
PubChem CID158060696
Molecular FormulaC18H30O7
Molecular Weight358.43 g/mol
Exact Mass358.20
IUPAC Namebut-2-ene-1,4-diol;cyclohexyl cyclohexyloxycarbonyl carbonate
SMILESO=C(OC(=O)OC1CCCCC1)OC1CCCCC1.OCC=CCO
InChIInChI=1S/C14H22O5.C4H8O2/c15-13(17-11-7-3-1-4-8-11)19-14(16)18-12-9-5-2-6-10-12;5-3-1-2-4-6/h11-12H,1-10H2;1-2,5-6H,3-4H2
InChIKeyFKPGXKKYUXVXAW-UHFFFAOYSA-N
XLogP3.47
TPSA102.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.43
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

dicyclononyl carbonate
CID 139618210
cyclohexyl hydroxymethyl carbonate
CID 54112347
cyclodecyl cyclodecyloxycarbonyloxy carbonate
CID 139793916
[3,5-bis(cyclohexyloxycarbonyloxy)cyclohexyl] cyclohexyl carbonate
CID 23066782
cyclododecyl prop-2-enyl carbonate
CID 13272703
cyclohexyl prop-2-enyl carbonate
CID 14917718
cyclohexyl iodo carbonate
CID 139427010
cycloheptyl iodomethyl carbonate
CID 86119288
cyclohexyloxycarbonyl 2-methylprop-2-enoate
CID 156840126
cyclohexyl (4-methoxycarbonyloxycyclohexyl) carbonate
CID 23066096
2-O-cycloheptyl 1-O-cyclooctyl oxalate
CID 57251206
cyclohexyl propanoate;dihydrochloride
CID 172803130

Frequently Asked Questions

What is the IUPAC name of but-2-ene-1,4-diol;cyclohexyl cyclohexyloxycarbonyl carbonate?
The IUPAC name of but-2-ene-1,4-diol;cyclohexyl cyclohexyloxycarbonyl carbonate (CID 158060696) is but-2-ene-1,4-diol;cyclohexyl cyclohexyloxycarbonyl carbonate.
What is the SMILES notation for but-2-ene-1,4-diol;cyclohexyl cyclohexyloxycarbonyl carbonate?
The canonical SMILES for but-2-ene-1,4-diol;cyclohexyl cyclohexyloxycarbonyl carbonate is O=C(OC(=O)OC1CCCCC1)OC1CCCCC1.OCC=CCO.
What is the InChIKey of but-2-ene-1,4-diol;cyclohexyl cyclohexyloxycarbonyl carbonate?
The InChIKey is FKPGXKKYUXVXAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O5.C4H8O2/c15-13(17-11-7-3-1-4-8-11)19-14(16)18-12-9-5-2-6-10-12;5-3-1-2-4-6/h11-12H,1-10H2;1-2,5-6H,3-4H2.
What are the key properties of but-2-ene-1,4-diol;cyclohexyl cyclohexyloxycarbonyl carbonate?
but-2-ene-1,4-diol;cyclohexyl cyclohexyloxycarbonyl carbonate has a molecular weight of 358.43 g/mol, XLogP of 3.47, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for but-2-ene-1,4-diol;cyclohexyl cyclohexyloxycarbonyl carbonate is sourced from PubChem (CID 158060696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).