(1-chloro-3-iodo-2-methylpropan-2-yl)oxycyclohexane

C10H18ClIO — CID 165477042

IUPAC(1-chloro-3-iodo-2-methylpropan-2-yl)oxycyclohexane
SMILESCC(CCl)(CI)OC1CCCCC1
InChIInChI=1S/C10H18ClIO/c1-10(7-11,8-12)13-9-5-3-2-4-6-9/h9H,2-8H2,1H3
InChIKeyDIPMFQRYEBIXGS-UHFFFAOYSA-N
MW316.61 g/mol
LogP3.77
Rot. Bonds4

About (1-chloro-3-iodo-2-methylpropan-2-yl)oxycyclohexane

(1-chloro-3-iodo-2-methylpropan-2-yl)oxycyclohexane (PubChem CID 165477042) has the molecular formula C10H18ClIO and a molecular weight of 316.61 g/mol. Its IUPAC name is (1-chloro-3-iodo-2-methylpropan-2-yl)oxycyclohexane.

Molecular Properties

Compound Name(1-chloro-3-iodo-2-methylpropan-2-yl)oxycyclohexane
PubChem CID165477042
Molecular FormulaC10H18ClIO
Molecular Weight316.61 g/mol
Exact Mass316.01
IUPAC Name(1-chloro-3-iodo-2-methylpropan-2-yl)oxycyclohexane
SMILESCC(CCl)(CI)OC1CCCCC1
InChIInChI=1S/C10H18ClIO/c1-10(7-11,8-12)13-9-5-3-2-4-6-9/h9H,2-8H2,1H3
InChIKeyDIPMFQRYEBIXGS-UHFFFAOYSA-N
XLogP3.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.61
LogP ≤ 53.77
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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Frequently Asked Questions

What is the IUPAC name of (1-chloro-3-iodo-2-methylpropan-2-yl)oxycyclohexane?
The IUPAC name of (1-chloro-3-iodo-2-methylpropan-2-yl)oxycyclohexane (CID 165477042) is (1-chloro-3-iodo-2-methylpropan-2-yl)oxycyclohexane.
What is the SMILES notation for (1-chloro-3-iodo-2-methylpropan-2-yl)oxycyclohexane?
The canonical SMILES for (1-chloro-3-iodo-2-methylpropan-2-yl)oxycyclohexane is CC(CCl)(CI)OC1CCCCC1.
What is the InChIKey of (1-chloro-3-iodo-2-methylpropan-2-yl)oxycyclohexane?
The InChIKey is DIPMFQRYEBIXGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClIO/c1-10(7-11,8-12)13-9-5-3-2-4-6-9/h9H,2-8H2,1H3.
What are the key properties of (1-chloro-3-iodo-2-methylpropan-2-yl)oxycyclohexane?
(1-chloro-3-iodo-2-methylpropan-2-yl)oxycyclohexane has a molecular weight of 316.61 g/mol, XLogP of 3.77, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-chloro-3-iodo-2-methylpropan-2-yl)oxycyclohexane is sourced from PubChem (CID 165477042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).