cyclopentyl 1-iodobutyl carbonate

C10H17IO3 — CID 86119197

IUPACcyclopentyl 1-iodobutyl carbonate
SMILESCCCC(I)OC(=O)OC1CCCC1
InChIInChI=1S/C10H17IO3/c1-2-5-9(11)14-10(12)13-8-6-3-4-7-8/h8-9H,2-7H2,1H3
InChIKeyPSNVUDPFIMUXRV-UHFFFAOYSA-N
MW312.15 g/mol
LogP3.64
Rot. Bonds4

About cyclopentyl 1-iodobutyl carbonate

cyclopentyl 1-iodobutyl carbonate (PubChem CID 86119197) has the molecular formula C10H17IO3 and a molecular weight of 312.15 g/mol. Its IUPAC name is cyclopentyl 1-iodobutyl carbonate.

Molecular Properties

Compound Namecyclopentyl 1-iodobutyl carbonate
PubChem CID86119197
Molecular FormulaC10H17IO3
Molecular Weight312.15 g/mol
Exact Mass312.02
IUPAC Namecyclopentyl 1-iodobutyl carbonate
SMILESCCCC(I)OC(=O)OC1CCCC1
InChIInChI=1S/C10H17IO3/c1-2-5-9(11)14-10(12)13-8-6-3-4-7-8/h8-9H,2-7H2,1H3
InChIKeyPSNVUDPFIMUXRV-UHFFFAOYSA-N
XLogP3.64
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.15
LogP ≤ 53.64
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-iodopropyl carbonate
CID 19894514
cyclopentyl 2-aminopentanoate
CID 61278203
1-cyclohexyloxycarbonyloxyethyl (2R)-2-propyloctanoate
CID 11696129
dicyclononyl carbonate
CID 139618210
cyclohexyl (4-methoxycarbonyloxycyclohexyl) carbonate
CID 23066096
[(2S)-butan-2-yl] cyclopropyl carbonate
CID 173085472
cyclohexyl 2-ethoxypentanoate
CID 70132370
cyclohexyl hydroxymethyl carbonate
CID 54112347
magnesium;cyclohexyl butanoate;hydride
CID 174620917
cyclohexyl iodo carbonate
CID 139427010
cycloheptyl iodomethyl carbonate
CID 86119288
cyclohexyl acetate;iodoethane
CID 174262238

Frequently Asked Questions

What is the IUPAC name of cyclopentyl 1-iodobutyl carbonate?
The IUPAC name of cyclopentyl 1-iodobutyl carbonate (CID 86119197) is cyclopentyl 1-iodobutyl carbonate.
What is the SMILES notation for cyclopentyl 1-iodobutyl carbonate?
The canonical SMILES for cyclopentyl 1-iodobutyl carbonate is CCCC(I)OC(=O)OC1CCCC1.
What is the InChIKey of cyclopentyl 1-iodobutyl carbonate?
The InChIKey is PSNVUDPFIMUXRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17IO3/c1-2-5-9(11)14-10(12)13-8-6-3-4-7-8/h8-9H,2-7H2,1H3.
What are the key properties of cyclopentyl 1-iodobutyl carbonate?
cyclopentyl 1-iodobutyl carbonate has a molecular weight of 312.15 g/mol, XLogP of 3.64, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl 1-iodobutyl carbonate is sourced from PubChem (CID 86119197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).