9-(2-bromocyclohexyl)-2,6-dioxaspiro[4.5]decane

C14H23BrO2 — CID 79919559

IUPAC9-(2-bromocyclohexyl)-2,6-dioxaspiro[4.5]decane
SMILESBrC1CCCCC1C1CCOC2(CCOC2)C1
InChIInChI=1S/C14H23BrO2/c15-13-4-2-1-3-12(13)11-5-7-17-14(9-11)6-8-16-10-14/h11-13H,1-10H2
InChIKeySUQGEJALOPLIKM-UHFFFAOYSA-N
MW303.24 g/mol
LogP3.53
Rot. Bonds1

About 9-(2-bromocyclohexyl)-2,6-dioxaspiro[4.5]decane

9-(2-bromocyclohexyl)-2,6-dioxaspiro[4.5]decane (PubChem CID 79919559) has the molecular formula C14H23BrO2 and a molecular weight of 303.24 g/mol. Its IUPAC name is 9-(2-bromocyclohexyl)-2,6-dioxaspiro[4.5]decane.

Molecular Properties

Compound Name9-(2-bromocyclohexyl)-2,6-dioxaspiro[4.5]decane
PubChem CID79919559
Molecular FormulaC14H23BrO2
Molecular Weight303.24 g/mol
Exact Mass302.09
IUPAC Name9-(2-bromocyclohexyl)-2,6-dioxaspiro[4.5]decane
SMILESBrC1CCCCC1C1CCOC2(CCOC2)C1
InChIInChI=1S/C14H23BrO2/c15-13-4-2-1-3-12(13)11-5-7-17-14(9-11)6-8-16-10-14/h11-13H,1-10H2
InChIKeySUQGEJALOPLIKM-UHFFFAOYSA-N
XLogP3.53
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.24
LogP ≤ 53.53
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

4-(2-bromocyclopentyl)-1,9-dioxaspiro[5.5]undecane
CID 79920154
4-(2-bromocyclopentyl)-1-oxa-9-thiaspiro[5.5]undecane
CID 79920153
4-(2-chlorocyclohexyl)-1,9-dioxaspiro[5.5]undecane
CID 79919791
N-[[2-(2,6-dioxaspiro[4.5]decan-9-yl)cyclopentyl]methyl]cyclopropanamine
CID 81027515
N-[[2-(2,6-dioxaspiro[4.5]decan-9-yl)cyclopentyl]methyl]propan-2-amine
CID 81034352
9-(3-chloro-2-methylcyclopentyl)-2,6-dioxaspiro[4.5]decane
CID 79923916
4-(3-bromocycloheptyl)-1,9-dioxaspiro[5.5]undecane
CID 79923911
2-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-methylcycloheptan-1-amine
CID 79919575
3-(2,6-dioxaspiro[4.5]decan-9-yl)-2-methylcyclopentan-1-one
CID 79924212
4-(2-bromocyclopentyl)oxane
CID 63937502
6-(2,6-dioxaspiro[4.5]decan-9-yl)piperidine-2-carboxylic acid
CID 112574004
(5S,9S)-2,6-dioxaspiro[4.5]decan-9-ol
CID 95335760

Frequently Asked Questions

What is the IUPAC name of 9-(2-bromocyclohexyl)-2,6-dioxaspiro[4.5]decane?
The IUPAC name of 9-(2-bromocyclohexyl)-2,6-dioxaspiro[4.5]decane (CID 79919559) is 9-(2-bromocyclohexyl)-2,6-dioxaspiro[4.5]decane.
What is the SMILES notation for 9-(2-bromocyclohexyl)-2,6-dioxaspiro[4.5]decane?
The canonical SMILES for 9-(2-bromocyclohexyl)-2,6-dioxaspiro[4.5]decane is BrC1CCCCC1C1CCOC2(CCOC2)C1.
What is the InChIKey of 9-(2-bromocyclohexyl)-2,6-dioxaspiro[4.5]decane?
The InChIKey is SUQGEJALOPLIKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrO2/c15-13-4-2-1-3-12(13)11-5-7-17-14(9-11)6-8-16-10-14/h11-13H,1-10H2.
What are the key properties of 9-(2-bromocyclohexyl)-2,6-dioxaspiro[4.5]decane?
9-(2-bromocyclohexyl)-2,6-dioxaspiro[4.5]decane has a molecular weight of 303.24 g/mol, XLogP of 3.53, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-bromocyclohexyl)-2,6-dioxaspiro[4.5]decane is sourced from PubChem (CID 79919559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).