cyclohexyl hydroxymethyl carbonate

C8H14O4 — CID 54112347

IUPACcyclohexyl hydroxymethyl carbonate
SMILESO=C(OCO)OC1CCCCC1
InChIInChI=1S/C8H14O4/c9-6-11-8(10)12-7-4-2-1-3-5-7/h7,9H,1-6H2
InChIKeyNHZFLKIYGZAEFN-UHFFFAOYSA-N
MW174.20 g/mol
LogP1.42
Rot. Bonds2

About cyclohexyl hydroxymethyl carbonate

cyclohexyl hydroxymethyl carbonate (PubChem CID 54112347) has the molecular formula C8H14O4 and a molecular weight of 174.20 g/mol. Its IUPAC name is cyclohexyl hydroxymethyl carbonate.

Molecular Properties

Compound Namecyclohexyl hydroxymethyl carbonate
PubChem CID54112347
Molecular FormulaC8H14O4
Molecular Weight174.20 g/mol
Exact Mass174.09
IUPAC Namecyclohexyl hydroxymethyl carbonate
SMILESO=C(OCO)OC1CCCCC1
InChIInChI=1S/C8H14O4/c9-6-11-8(10)12-7-4-2-1-3-5-7/h7,9H,1-6H2
InChIKeyNHZFLKIYGZAEFN-UHFFFAOYSA-N
XLogP1.42
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

dicyclononyl carbonate
CID 139618210
cycloheptyl iodomethyl carbonate
CID 86119288
cyclododecyl prop-2-enyl carbonate
CID 13272703
cyclohexyl prop-2-enyl carbonate
CID 14917718
cyclodecyl cyclodecyloxycarbonyloxy carbonate
CID 139793916
[3,5-bis(cyclohexyloxycarbonyloxy)cyclohexyl] cyclohexyl carbonate
CID 23066782
but-2-ene-1,4-diol;cyclohexyl cyclohexyloxycarbonyl carbonate
CID 158060696
cyclohexyl iodo carbonate
CID 139427010
cyclohexyl (4-methoxycarbonyloxycyclohexyl) carbonate
CID 23066096
2-O-cycloheptyl 1-O-cyclooctyl oxalate
CID 57251206
cyclohexyl 2-aminoacetate;hydrochloride
CID 14180607
cyclobutyloxycarbonyloxymethyl acetate
CID 70141824

Frequently Asked Questions

What is the IUPAC name of cyclohexyl hydroxymethyl carbonate?
The IUPAC name of cyclohexyl hydroxymethyl carbonate (CID 54112347) is cyclohexyl hydroxymethyl carbonate.
What is the SMILES notation for cyclohexyl hydroxymethyl carbonate?
The canonical SMILES for cyclohexyl hydroxymethyl carbonate is O=C(OCO)OC1CCCCC1.
What is the InChIKey of cyclohexyl hydroxymethyl carbonate?
The InChIKey is NHZFLKIYGZAEFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O4/c9-6-11-8(10)12-7-4-2-1-3-5-7/h7,9H,1-6H2.
What are the key properties of cyclohexyl hydroxymethyl carbonate?
cyclohexyl hydroxymethyl carbonate has a molecular weight of 174.20 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl hydroxymethyl carbonate is sourced from PubChem (CID 54112347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).