chloromethyl (3-methylcyclopentyl) carbonate

C8H13ClO3 — CID 66562167

IUPACchloromethyl (3-methylcyclopentyl) carbonate
SMILESCC1CCC(OC(=O)OCCl)C1
InChIInChI=1S/C8H13ClO3/c1-6-2-3-7(4-6)12-8(10)11-5-9/h6-7H,2-5H2,1H3
InChIKeyPTRZDYVZNUSRAN-UHFFFAOYSA-N
MW192.64 g/mol
LogP2.52
Rot. Bonds2

About chloromethyl (3-methylcyclopentyl) carbonate

chloromethyl (3-methylcyclopentyl) carbonate (PubChem CID 66562167) has the molecular formula C8H13ClO3 and a molecular weight of 192.64 g/mol. Its IUPAC name is chloromethyl (3-methylcyclopentyl) carbonate.

Molecular Properties

Compound Namechloromethyl (3-methylcyclopentyl) carbonate
PubChem CID66562167
Molecular FormulaC8H13ClO3
Molecular Weight192.64 g/mol
Exact Mass192.06
IUPAC Namechloromethyl (3-methylcyclopentyl) carbonate
SMILESCC1CCC(OC(=O)OCCl)C1
InChIInChI=1S/C8H13ClO3/c1-6-2-3-7(4-6)12-8(10)11-5-9/h6-7H,2-5H2,1H3
InChIKeyPTRZDYVZNUSRAN-UHFFFAOYSA-N
XLogP2.52
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.64
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4-methylcyclohexyl) carbamate
CID 22083226
(3-methylcyclopentyl) 3-methylbut-2-enoate
CID 131176939
[2,4-bis(ethoxycarbonyloxy)cyclohexyl] ethyl carbonate
CID 23066426
(3-methylcyclopentyl) 2-[[amino(ethoxy)methylidene]amino]propanoate
CID 163677161
(4-methylcyclohexyl)oxycarbonyloxymethyl 2-methylprop-2-enoate
CID 59157329
chloromethyl oxiran-2-yl carbonate
CID 174658278
2-chloroethyl [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] carbonate
CID 163755542
(3-methylcyclohexyl) 2-aminopentanoate
CID 61302315
ethane;N-methylacetamide;trans-(1S,3S)-1-methoxy-3-methylcyclopentane
CID 177059822
[(3R,4S)-4-(chloromethoxycarbonyloxy)oxolan-3-yl] chloromethyl carbonate
CID 102394469
(3-methylcyclohexyl) (2R)-2-amino-3-hydroxypropanoate
CID 80751175
(3-methylcyclohexyl) 2,3-dihydroxypropanoate;propane
CID 143971653

Frequently Asked Questions

What is the IUPAC name of chloromethyl (3-methylcyclopentyl) carbonate?
The IUPAC name of chloromethyl (3-methylcyclopentyl) carbonate (CID 66562167) is chloromethyl (3-methylcyclopentyl) carbonate.
What is the SMILES notation for chloromethyl (3-methylcyclopentyl) carbonate?
The canonical SMILES for chloromethyl (3-methylcyclopentyl) carbonate is CC1CCC(OC(=O)OCCl)C1.
What is the InChIKey of chloromethyl (3-methylcyclopentyl) carbonate?
The InChIKey is PTRZDYVZNUSRAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13ClO3/c1-6-2-3-7(4-6)12-8(10)11-5-9/h6-7H,2-5H2,1H3.
What are the key properties of chloromethyl (3-methylcyclopentyl) carbonate?
chloromethyl (3-methylcyclopentyl) carbonate has a molecular weight of 192.64 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for chloromethyl (3-methylcyclopentyl) carbonate is sourced from PubChem (CID 66562167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).