3-bromo-4-(5-methyl-2-propan-2-ylcyclohexyl)oxyoxolane

C14H25BrO2 — CID 114772976

IUPAC3-bromo-4-(5-methyl-2-propan-2-ylcyclohexyl)oxyoxolane
SMILESCC1CCC(C(C)C)C(OC2COCC2Br)C1
InChIInChI=1S/C14H25BrO2/c1-9(2)11-5-4-10(3)6-13(11)17-14-8-16-7-12(14)15/h9-14H,4-8H2,1-3H3
InChIKeyHZKOCQRZSCRSJW-UHFFFAOYSA-N
MW305.26 g/mol
LogP3.63
Rot. Bonds3

About 3-bromo-4-(5-methyl-2-propan-2-ylcyclohexyl)oxyoxolane

3-bromo-4-(5-methyl-2-propan-2-ylcyclohexyl)oxyoxolane (PubChem CID 114772976) has the molecular formula C14H25BrO2 and a molecular weight of 305.26 g/mol. Its IUPAC name is 3-bromo-4-(5-methyl-2-propan-2-ylcyclohexyl)oxyoxolane.

Molecular Properties

Compound Name3-bromo-4-(5-methyl-2-propan-2-ylcyclohexyl)oxyoxolane
PubChem CID114772976
Molecular FormulaC14H25BrO2
Molecular Weight305.26 g/mol
Exact Mass304.10
IUPAC Name3-bromo-4-(5-methyl-2-propan-2-ylcyclohexyl)oxyoxolane
SMILESCC1CCC(C(C)C)C(OC2COCC2Br)C1
InChIInChI=1S/C14H25BrO2/c1-9(2)11-5-4-10(3)6-13(11)17-14-8-16-7-12(14)15/h9-14H,4-8H2,1-3H3
InChIKeyHZKOCQRZSCRSJW-UHFFFAOYSA-N
XLogP3.63
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.26
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1S,2R,4R)-4-methyl-2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-1-propan-2-ylcyclohexane
CID 142760387
(1S,2R,4S)-4-methyl-1-propan-2-yl-2-propan-2-yloxycyclohexane
CID 176736545
trimethyl-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxysilane
CID 11138915
methyl-tris[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy]silane
CID 101270451
cis-(1R,5S)-5-methyl-3-[(2R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-2-propan-2-ylcyclohexan-1-ol
CID 126621242
(1R,2S,4S)-4-methyl-2-[[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxydisulfanyl]oxy-1-propan-2-ylcyclohexane
CID 70687940
1-(5-methyl-2-propan-2-ylcyclohexyl)oxyethane-1,1-diol
CID 143659959
(1S,2R,4R)-2-ethoxy-4-methyl-1-propan-2-ylcyclohexane
CID 11086237
trans-(2R,4R)-4-methyl-2-[(2-methylpropan-2-yl)oxy]-1-propan-2-ylcyclohexane
CID 137488514
(1S,2R,4R)-2-(2-bromoethoxy)-4-methyl-1-propan-2-ylcyclohexane
CID 22883721
[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyboronic acid
CID 99738331
4-methyl-1-propan-2-yl-2-propoxycyclohexane
CID 54499043

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-(5-methyl-2-propan-2-ylcyclohexyl)oxyoxolane?
The IUPAC name of 3-bromo-4-(5-methyl-2-propan-2-ylcyclohexyl)oxyoxolane (CID 114772976) is 3-bromo-4-(5-methyl-2-propan-2-ylcyclohexyl)oxyoxolane.
What is the SMILES notation for 3-bromo-4-(5-methyl-2-propan-2-ylcyclohexyl)oxyoxolane?
The canonical SMILES for 3-bromo-4-(5-methyl-2-propan-2-ylcyclohexyl)oxyoxolane is CC1CCC(C(C)C)C(OC2COCC2Br)C1.
What is the InChIKey of 3-bromo-4-(5-methyl-2-propan-2-ylcyclohexyl)oxyoxolane?
The InChIKey is HZKOCQRZSCRSJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25BrO2/c1-9(2)11-5-4-10(3)6-13(11)17-14-8-16-7-12(14)15/h9-14H,4-8H2,1-3H3.
What are the key properties of 3-bromo-4-(5-methyl-2-propan-2-ylcyclohexyl)oxyoxolane?
3-bromo-4-(5-methyl-2-propan-2-ylcyclohexyl)oxyoxolane has a molecular weight of 305.26 g/mol, XLogP of 3.63, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-(5-methyl-2-propan-2-ylcyclohexyl)oxyoxolane is sourced from PubChem (CID 114772976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).