1-(4-bromobutoxy)-2-propylcyclohexane

C13H25BrO — CID 139649149

IUPAC1-(4-bromobutoxy)-2-propylcyclohexane
SMILESCCCC1CCCCC1OCCCCBr
InChIInChI=1S/C13H25BrO/c1-2-7-12-8-3-4-9-13(12)15-11-6-5-10-14/h12-13H,2-11H2,1H3
InChIKeyOYMRBTCKGFSPID-UHFFFAOYSA-N
MW277.25 g/mol
LogP4.54
Rot. Bonds7

About 1-(4-bromobutoxy)-2-propylcyclohexane

1-(4-bromobutoxy)-2-propylcyclohexane (PubChem CID 139649149) has the molecular formula C13H25BrO and a molecular weight of 277.25 g/mol. Its IUPAC name is 1-(4-bromobutoxy)-2-propylcyclohexane.

Molecular Properties

Compound Name1-(4-bromobutoxy)-2-propylcyclohexane
PubChem CID139649149
Molecular FormulaC13H25BrO
Molecular Weight277.25 g/mol
Exact Mass276.11
IUPAC Name1-(4-bromobutoxy)-2-propylcyclohexane
SMILESCCCC1CCCCC1OCCCCBr
InChIInChI=1S/C13H25BrO/c1-2-7-12-8-3-4-9-13(12)15-11-6-5-10-14/h12-13H,2-11H2,1H3
InChIKeyOYMRBTCKGFSPID-UHFFFAOYSA-N
XLogP4.54
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.25
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(3-bromopropoxy)-2-ethylcyclohexane
CID 43135438
trans-(1S,2R)-1-ethoxy-2-propylcyclohexane
CID 94034878
1,2-dibutoxycyclohexane
CID 24962665
1-(5-chloropentoxy)-2-ethylcyclohexane
CID 43348434
1-(6-chlorohexoxy)-2-ethylcyclohexane
CID 63499299
2-octoxycyclohexan-1-amine
CID 43127889
cis-(1S,2R)-1,2-dipropylcyclohexane
CID 143217114
2-butoxycyclohexan-1-amine
CID 43267617
2-hexoxycyclododecan-1-amine
CID 43127854
2-[2-[2-[2-[2-(2-octylcyclohexyl)oxyethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 11189685
1-iodo-2-pentoxycyclopentane
CID 114773690
1-(3-methoxypropyl)-2-propylcyclohexane
CID 134612935

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromobutoxy)-2-propylcyclohexane?
The IUPAC name of 1-(4-bromobutoxy)-2-propylcyclohexane (CID 139649149) is 1-(4-bromobutoxy)-2-propylcyclohexane.
What is the SMILES notation for 1-(4-bromobutoxy)-2-propylcyclohexane?
The canonical SMILES for 1-(4-bromobutoxy)-2-propylcyclohexane is CCCC1CCCCC1OCCCCBr.
What is the InChIKey of 1-(4-bromobutoxy)-2-propylcyclohexane?
The InChIKey is OYMRBTCKGFSPID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25BrO/c1-2-7-12-8-3-4-9-13(12)15-11-6-5-10-14/h12-13H,2-11H2,1H3.
What are the key properties of 1-(4-bromobutoxy)-2-propylcyclohexane?
1-(4-bromobutoxy)-2-propylcyclohexane has a molecular weight of 277.25 g/mol, XLogP of 4.54, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromobutoxy)-2-propylcyclohexane is sourced from PubChem (CID 139649149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).