2-(bromomethyl)-7-cyclohexyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene

C17H29Br — CID 140513997

IUPAC2-(bromomethyl)-7-cyclohexyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
SMILESBrCC1CCC2CCC(C3CCCCC3)CC2C1
InChIInChI=1S/C17H29Br/c18-12-13-6-7-15-8-9-16(11-17(15)10-13)14-4-2-1-3-5-14/h13-17H,1-12H2
InChIKeyNZLRNBJPIXEKIM-UHFFFAOYSA-N
MW313.32 g/mol
LogP5.79
Rot. Bonds2

About 2-(bromomethyl)-7-cyclohexyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene

2-(bromomethyl)-7-cyclohexyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene (PubChem CID 140513997) has the molecular formula C17H29Br and a molecular weight of 313.32 g/mol. Its IUPAC name is 2-(bromomethyl)-7-cyclohexyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene.

Molecular Properties

Compound Name2-(bromomethyl)-7-cyclohexyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
PubChem CID140513997
Molecular FormulaC17H29Br
Molecular Weight313.32 g/mol
Exact Mass312.15
IUPAC Name2-(bromomethyl)-7-cyclohexyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
SMILESBrCC1CCC2CCC(C3CCCCC3)CC2C1
InChIInChI=1S/C17H29Br/c18-12-13-6-7-15-8-9-16(11-17(15)10-13)14-4-2-1-3-5-14/h13-17H,1-12H2
InChIKeyNZLRNBJPIXEKIM-UHFFFAOYSA-N
XLogP5.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.32
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2-(bromomethyl)-7-cyclohexyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene with MolForge

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Related Compounds

3-(2-cycloheptylethyl)-2,3,4,4a,5,6,7,8,9,10,11,11a-dodecahydro-1H-benzo[9]annulene
CID 90780974
(3-cyclohexylcyclopentyl)methanamine
CID 83636273
(3-ethylcyclopentyl)cyclohexane
CID 142208206
pentacyclo[11.9.0.03,11.05,9.015,21]docosane
CID 132819456
bicyclo[11.1.0]tetradecane
CID 90981498
bicyclo[21.1.0]tetracosane
CID 123789596
2-(4-bromocyclohexyl)-6-cyclohexyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 143742441
1-cyclohexyl-4-(cyclopropylmethyl)cyclohexane
CID 143182183
3-(4-ethylcyclohexyl)-14-pentylbicyclo[9.4.0]pentadecane
CID 58552594
2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)ethanamine
CID 83906617
2-(4-propylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 22382934
3-(7-cyclohexyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-methylpropanoic acid
CID 140513988

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-7-cyclohexyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The IUPAC name of 2-(bromomethyl)-7-cyclohexyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene (CID 140513997) is 2-(bromomethyl)-7-cyclohexyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene.
What is the SMILES notation for 2-(bromomethyl)-7-cyclohexyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The canonical SMILES for 2-(bromomethyl)-7-cyclohexyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene is BrCC1CCC2CCC(C3CCCCC3)CC2C1.
What is the InChIKey of 2-(bromomethyl)-7-cyclohexyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The InChIKey is NZLRNBJPIXEKIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29Br/c18-12-13-6-7-15-8-9-16(11-17(15)10-13)14-4-2-1-3-5-14/h13-17H,1-12H2.
What are the key properties of 2-(bromomethyl)-7-cyclohexyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
2-(bromomethyl)-7-cyclohexyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene has a molecular weight of 313.32 g/mol, XLogP of 5.79, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-7-cyclohexyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene is sourced from PubChem (CID 140513997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).