1-(bromomethyl)-4-propoxycyclohexane

C10H19BrO — CID 19099382

IUPAC1-(bromomethyl)-4-propoxycyclohexane
SMILESCCCOC1CCC(CBr)CC1
InChIInChI=1S/C10H19BrO/c1-2-7-12-10-5-3-9(8-11)4-6-10/h9-10H,2-8H2,1H3
InChIKeySOOKACLYXNKIOS-UHFFFAOYSA-N
MW235.16 g/mol
LogP3.37
Rot. Bonds4

About 1-(bromomethyl)-4-propoxycyclohexane

1-(bromomethyl)-4-propoxycyclohexane (PubChem CID 19099382) has the molecular formula C10H19BrO and a molecular weight of 235.16 g/mol. Its IUPAC name is 1-(bromomethyl)-4-propoxycyclohexane.

Molecular Properties

Compound Name1-(bromomethyl)-4-propoxycyclohexane
PubChem CID19099382
Molecular FormulaC10H19BrO
Molecular Weight235.16 g/mol
Exact Mass234.06
IUPAC Name1-(bromomethyl)-4-propoxycyclohexane
SMILESCCCOC1CCC(CBr)CC1
InChIInChI=1S/C10H19BrO/c1-2-7-12-10-5-3-9(8-11)4-6-10/h9-10H,2-8H2,1H3
InChIKeySOOKACLYXNKIOS-UHFFFAOYSA-N
XLogP3.37
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.16
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

CID 21706529
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CID 66470864
CID 66470864
CID 122164135
CID 122164135
CID 129775794
CID 129775794
CID 66276158
CID 66276158
CID 17894801
CID 17894801
CID 19099372
CID 19099372
CID 19099373
CID 19099373
CID 19099374
CID 19099374
CID 19099381
CID 19099381
CID 19099385
CID 19099385

Frequently Asked Questions

What is the IUPAC name of 1-(bromomethyl)-4-propoxycyclohexane?
The IUPAC name of 1-(bromomethyl)-4-propoxycyclohexane (CID 19099382) is 1-(bromomethyl)-4-propoxycyclohexane.
What is the SMILES notation for 1-(bromomethyl)-4-propoxycyclohexane?
The canonical SMILES for 1-(bromomethyl)-4-propoxycyclohexane is CCCOC1CCC(CBr)CC1.
What is the InChIKey of 1-(bromomethyl)-4-propoxycyclohexane?
The InChIKey is SOOKACLYXNKIOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19BrO/c1-2-7-12-10-5-3-9(8-11)4-6-10/h9-10H,2-8H2,1H3.
What are the key properties of 1-(bromomethyl)-4-propoxycyclohexane?
1-(bromomethyl)-4-propoxycyclohexane has a molecular weight of 235.16 g/mol, XLogP of 3.37, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethyl)-4-propoxycyclohexane is sourced from PubChem (CID 19099382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).