(1R,2R,3R)-2-(iodomethyl)-1-[3-(methoxymethoxy)prop-1-en-2-yl]-3-methylcyclopentane

C12H21IO2 — CID 11290270

IUPAC(1R,2R,3R)-2-(iodomethyl)-1-[3-(methoxymethoxy)prop-1-en-2-yl]-3-methylcyclopentane
SMILESC=C(COCOC)[C@@H]1CC[C@@H](C)[C@H]1CI
InChIInChI=1S/C12H21IO2/c1-9-4-5-11(12(9)6-13)10(2)7-15-8-14-3/h9,11-12H,2,4-8H2,1,3H3/t9-,11+,12-/m1/s1
InChIKeyAEQQBGHKZZKJEU-ADEWGFFLSA-N
MW324.20 g/mol
LogP3.26
Rot. Bonds6

About (1R,2R,3R)-2-(iodomethyl)-1-[3-(methoxymethoxy)prop-1-en-2-yl]-3-methylcyclopentane

(1R,2R,3R)-2-(iodomethyl)-1-[3-(methoxymethoxy)prop-1-en-2-yl]-3-methylcyclopentane (PubChem CID 11290270) has the molecular formula C12H21IO2 and a molecular weight of 324.20 g/mol. Its IUPAC name is (1R,2R,3R)-2-(iodomethyl)-1-[3-(methoxymethoxy)prop-1-en-2-yl]-3-methylcyclopentane.

Molecular Properties

Compound Name(1R,2R,3R)-2-(iodomethyl)-1-[3-(methoxymethoxy)prop-1-en-2-yl]-3-methylcyclopentane
PubChem CID11290270
Molecular FormulaC12H21IO2
Molecular Weight324.20 g/mol
Exact Mass324.06
IUPAC Name(1R,2R,3R)-2-(iodomethyl)-1-[3-(methoxymethoxy)prop-1-en-2-yl]-3-methylcyclopentane
SMILESC=C(COCOC)[C@@H]1CC[C@@H](C)[C@H]1CI
InChIInChI=1S/C12H21IO2/c1-9-4-5-11(12(9)6-13)10(2)7-15-8-14-3/h9,11-12H,2,4-8H2,1,3H3/t9-,11+,12-/m1/s1
InChIKeyAEQQBGHKZZKJEU-ADEWGFFLSA-N
XLogP3.26
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.20
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1R,2R,3R)-2-(iodomethyl)-1-[3-(methoxymethoxy)prop-1-en-2-yl]-3-methylcyclopentane?
The IUPAC name of (1R,2R,3R)-2-(iodomethyl)-1-[3-(methoxymethoxy)prop-1-en-2-yl]-3-methylcyclopentane (CID 11290270) is (1R,2R,3R)-2-(iodomethyl)-1-[3-(methoxymethoxy)prop-1-en-2-yl]-3-methylcyclopentane.
What is the SMILES notation for (1R,2R,3R)-2-(iodomethyl)-1-[3-(methoxymethoxy)prop-1-en-2-yl]-3-methylcyclopentane?
The canonical SMILES for (1R,2R,3R)-2-(iodomethyl)-1-[3-(methoxymethoxy)prop-1-en-2-yl]-3-methylcyclopentane is C=C(COCOC)[C@@H]1CC[C@@H](C)[C@H]1CI.
What is the InChIKey of (1R,2R,3R)-2-(iodomethyl)-1-[3-(methoxymethoxy)prop-1-en-2-yl]-3-methylcyclopentane?
The InChIKey is AEQQBGHKZZKJEU-ADEWGFFLSA-N. The full InChI is InChI=1S/C12H21IO2/c1-9-4-5-11(12(9)6-13)10(2)7-15-8-14-3/h9,11-12H,2,4-8H2,1,3H3/t9-,11+,12-/m1/s1.
What are the key properties of (1R,2R,3R)-2-(iodomethyl)-1-[3-(methoxymethoxy)prop-1-en-2-yl]-3-methylcyclopentane?
(1R,2R,3R)-2-(iodomethyl)-1-[3-(methoxymethoxy)prop-1-en-2-yl]-3-methylcyclopentane has a molecular weight of 324.20 g/mol, XLogP of 3.26, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,3R)-2-(iodomethyl)-1-[3-(methoxymethoxy)prop-1-en-2-yl]-3-methylcyclopentane is sourced from PubChem (CID 11290270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).