cyclopentyl 1-iodopropyl carbonate

C9H15IO3 — CID 19894514

IUPACcyclopentyl 1-iodopropyl carbonate
SMILESCCC(I)OC(=O)OC1CCCC1
InChIInChI=1S/C9H15IO3/c1-2-8(10)13-9(11)12-7-5-3-4-6-7/h7-8H,2-6H2,1H3
InChIKeyPPASHPZPPUSSIW-UHFFFAOYSA-N
MW298.12 g/mol
LogP3.25
Rot. Bonds3

About cyclopentyl 1-iodopropyl carbonate

cyclopentyl 1-iodopropyl carbonate (PubChem CID 19894514) has the molecular formula C9H15IO3 and a molecular weight of 298.12 g/mol. Its IUPAC name is cyclopentyl 1-iodopropyl carbonate.

Molecular Properties

Compound Namecyclopentyl 1-iodopropyl carbonate
PubChem CID19894514
Molecular FormulaC9H15IO3
Molecular Weight298.12 g/mol
Exact Mass298.01
IUPAC Namecyclopentyl 1-iodopropyl carbonate
SMILESCCC(I)OC(=O)OC1CCCC1
InChIInChI=1S/C9H15IO3/c1-2-8(10)13-9(11)12-7-5-3-4-6-7/h7-8H,2-6H2,1H3
InChIKeyPPASHPZPPUSSIW-UHFFFAOYSA-N
XLogP3.25
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
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

cyclopentyl 1-iodobutyl carbonate
CID 86119197
[(2S)-butan-2-yl] cyclopropyl carbonate
CID 173085472
cycloheptyl iodomethyl carbonate
CID 86119288
dicyclononyl carbonate
CID 139618210
cyclohexyl (4-methoxycarbonyloxycyclohexyl) carbonate
CID 23066096
cyclopropyl 2,2-dimethylpentan-3-yl carbonate
CID 58430375
cyclohexyl hydroxymethyl carbonate
CID 54112347
cyclopentyl 2-aminobutanoate;hydrochloride
CID 175315314
cyclohexyl iodo carbonate
CID 139427010
cyclohexyl acetate;iodoethane
CID 174262238
cyclohexyl 1-(ethylideneamino)ethyl carbonate
CID 163564117
cyclopentyl 2-ethoxypropanoate
CID 173270406

Frequently Asked Questions

What is the IUPAC name of cyclopentyl 1-iodopropyl carbonate?
The IUPAC name of cyclopentyl 1-iodopropyl carbonate (CID 19894514) is cyclopentyl 1-iodopropyl carbonate.
What is the SMILES notation for cyclopentyl 1-iodopropyl carbonate?
The canonical SMILES for cyclopentyl 1-iodopropyl carbonate is CCC(I)OC(=O)OC1CCCC1.
What is the InChIKey of cyclopentyl 1-iodopropyl carbonate?
The InChIKey is PPASHPZPPUSSIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15IO3/c1-2-8(10)13-9(11)12-7-5-3-4-6-7/h7-8H,2-6H2,1H3.
What are the key properties of cyclopentyl 1-iodopropyl carbonate?
cyclopentyl 1-iodopropyl carbonate has a molecular weight of 298.12 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl 1-iodopropyl carbonate is sourced from PubChem (CID 19894514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).