cycloheptyl iodomethyl carbonate

C9H15IO3 — CID 86119288

IUPACcycloheptyl iodomethyl carbonate
SMILESO=C(OCI)OC1CCCCCC1
InChIInChI=1S/C9H15IO3/c10-7-12-9(11)13-8-5-3-1-2-4-6-8/h8H,1-7H2
InChIKeyZFTRKLVIPUFSQV-UHFFFAOYSA-N
MW298.12 g/mol
LogP3.25
Rot. Bonds2

About cycloheptyl iodomethyl carbonate

cycloheptyl iodomethyl carbonate (PubChem CID 86119288) has the molecular formula C9H15IO3 and a molecular weight of 298.12 g/mol. Its IUPAC name is cycloheptyl iodomethyl carbonate.

Molecular Properties

Compound Namecycloheptyl iodomethyl carbonate
PubChem CID86119288
Molecular FormulaC9H15IO3
Molecular Weight298.12 g/mol
Exact Mass298.01
IUPAC Namecycloheptyl iodomethyl carbonate
SMILESO=C(OCI)OC1CCCCCC1
InChIInChI=1S/C9H15IO3/c10-7-12-9(11)13-8-5-3-1-2-4-6-8/h8H,1-7H2
InChIKeyZFTRKLVIPUFSQV-UHFFFAOYSA-N
XLogP3.25
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.12
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

cyclohexyl hydroxymethyl carbonate
CID 54112347
dicyclononyl carbonate
CID 139618210
cyclododecyl prop-2-enyl carbonate
CID 13272703
cyclohexyl prop-2-enyl carbonate
CID 14917718
cyclohexyl iodo carbonate
CID 139427010
cyclodecyl cyclodecyloxycarbonyloxy carbonate
CID 139793916
[3,5-bis(cyclohexyloxycarbonyloxy)cyclohexyl] cyclohexyl carbonate
CID 23066782
cyclohexyl acetate;iodoethane
CID 174262238
cyclohexyl 3-iodo-2-methylpropanoate
CID 155283171
cyclohexyl (4-methoxycarbonyloxycyclohexyl) carbonate
CID 23066096
cyclopentyl 1-iodopropyl carbonate
CID 19894514
2-O-cycloheptyl 1-O-cyclooctyl oxalate
CID 57251206

Frequently Asked Questions

What is the IUPAC name of cycloheptyl iodomethyl carbonate?
The IUPAC name of cycloheptyl iodomethyl carbonate (CID 86119288) is cycloheptyl iodomethyl carbonate.
What is the SMILES notation for cycloheptyl iodomethyl carbonate?
The canonical SMILES for cycloheptyl iodomethyl carbonate is O=C(OCI)OC1CCCCCC1.
What is the InChIKey of cycloheptyl iodomethyl carbonate?
The InChIKey is ZFTRKLVIPUFSQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15IO3/c10-7-12-9(11)13-8-5-3-1-2-4-6-8/h8H,1-7H2.
What are the key properties of cycloheptyl iodomethyl carbonate?
cycloheptyl iodomethyl carbonate has a molecular weight of 298.12 g/mol, XLogP of 3.25, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cycloheptyl iodomethyl carbonate is sourced from PubChem (CID 86119288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).