CID 147900452

C7H10IO- — CID 147900452

IUPAC—
SMILESCCOC1=C[I-]CC=C1
InChIInChI=1S/C7H10IO/c1-2-9-7-4-3-5-8-6-7/h3-4,6H,2,5H2,1H3/q-1
InChIKeyKGPXPNLACFYYLF-UHFFFAOYSA-N
MW237.06 g/mol
LogP-1.48
Rot. Bonds2

About CID 147900452

CID 147900452 (PubChem CID 147900452) has the molecular formula C7H10IO- and a molecular weight of 237.06 g/mol.

Molecular Properties

Compound NameCID 147900452
PubChem CID147900452
Molecular FormulaC7H10IO-
Molecular Weight237.06 g/mol
Exact Mass236.98
IUPAC Name—
SMILESCCOC1=C[I-]CC=C1
InChIInChI=1S/C7H10IO/c1-2-9-7-4-3-5-8-6-7/h3-4,6H,2,5H2,1H3/q-1
InChIKeyKGPXPNLACFYYLF-UHFFFAOYSA-N
XLogP-1.48
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.06
LogP ≤ 5-1.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ethane;3-ethoxycyclohepta-1,3,5-triene
CID 142833212
ethane;1-ethoxy-4-methylcyclohepta-1,3,5-triene
CID 164862064
2-ethoxy-1-methylcyclohexa-1,3-diene
CID 19805352
3-(4-ethoxycyclohexa-2,4-dien-1-yl)propanal
CID 91547732
4-ethoxy-N-propylcyclohepta-1,3,6-trien-1-amine
CID 137398826
5-ethoxy-6-methyl-2H-pyran
CID 154452264
2-ethoxy-3-methylcyclohexa-1,5-dien-1-ol
CID 142888173
5-ethoxycyclohexa-3,5-diene-1,3-dicarboxylic acid
CID 126711810
1-(1-amino-4-ethoxycyclohexa-2,4-dien-1-yl)ethanone
CID 23615895
5,6,12,13,19,20-hexaethoxytetracyclo[15.4.0.03,8.010,15]henicosa-1(21),3,5,7,10,12,14,17,19-nonaene
CID 4918984
(1E)-1-ethoxycyclodecene;(1E)-1-ethoxycyclododecene;1-ethoxycycloheptene;1-ethoxycyclohexene;(1E)-1-ethoxycyclononene;(1E)-1-ethoxycyclooctene;(1E)-1-ethoxycyclotetradecene;(1E)-1-ethoxycyclotridecene;(1E)-1-ethoxycycloundecene
CID 165044943
(1E)-1-ethoxycyclodecene
CID 164771748

Frequently Asked Questions

What is the IUPAC name of CID 147900452?
The IUPAC name of CID 147900452 (CID 147900452) is not available.
What is the SMILES notation for CID 147900452?
The canonical SMILES for CID 147900452 is CCOC1=C[I-]CC=C1.
What is the InChIKey of CID 147900452?
The InChIKey is KGPXPNLACFYYLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10IO/c1-2-9-7-4-3-5-8-6-7/h3-4,6H,2,5H2,1H3/q-1.
What are the key properties of CID 147900452?
CID 147900452 has a molecular weight of 237.06 g/mol, XLogP of -1.48, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 147900452 is sourced from PubChem (CID 147900452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).